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87112-65-0 | Phenol,4-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]-, (S)- (9CI)
CAS No: 87112-65-0 Catalog No: AG004OWW MDL No:
Product Description
Catalog Number:
AG004OWW
Chemical Name:
Phenol,4-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]-, (S)- (9CI)
CAS Number:
87112-65-0
Molecular Formula:
C19H25NO5
Molecular Weight:
347.4055
IUPAC Name:
4-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenol
InChI:
InChI=1S/C19H25NO5/c1-23-18-8-3-14(11-19(18)24-2)9-10-20-12-16(22)13-25-17-6-4-15(21)5-7-17/h3-8,11,16,20-22H,9-10,12-13H2,1-2H3/t16-/m0/s1
InChI Key:
XYOSMQAGAGSRNT-INIZCTEOSA-N
SMILES:
COc1cc(CCNCC(COc2ccc(cc2)O)O)ccc1OC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.411g/mol
Monoisotopic Mass:
347.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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