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1019578-68-7 | Benzenemethanamine, 3-fluoro-N-(2-methylpropyl)-
CAS No: 1019578-68-7 Catalog No: AG00062X MDL No:MFCD11139645
Product Description
Catalog Number:
AG00062X
Chemical Name:
Benzenemethanamine, 3-fluoro-N-(2-methylpropyl)-
CAS Number:
1019578-68-7
Molecular Formula:
C11H16FN
Molecular Weight:
181.2498
MDL Number:
MFCD11139645
IUPAC Name:
N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
InChI:
InChI=1S/C11H16FN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChI Key:
HCNBCVDBTLLOSB-UHFFFAOYSA-N
SMILES:
CC(CNCc1cccc(c1)F)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.254g/mol
Monoisotopic Mass:
181.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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