N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine

C17H20FN — CID 17156263

IUPACN-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-2-8-17(14-9-4-3-5-10-14)19-13-15-11-6-7-12-16(15)18/h3-7,9-12,17,19H,2,8,13H2,1H3
InChIKeyKVTOQLMVPKUSAZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.46
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine

N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine (PubChem CID 17156263) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
PubChem CID17156263
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-2-8-17(14-9-4-3-5-10-14)19-13-15-11-6-7-12-16(15)18/h3-7,9-12,17,19H,2,8,13H2,1H3
InChIKeyKVTOQLMVPKUSAZ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155887
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740
(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449890
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
CID 63450778
N-[(3-bromo-4-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222005
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
2,6-difluoro-N-(1-phenylbutyl)aniline
CID 43123906

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine (CID 17156263) is N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine is CCCC(NCc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is KVTOQLMVPKUSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-2-8-17(14-9-4-3-5-10-14)19-13-15-11-6-7-12-16(15)18/h3-7,9-12,17,19H,2,8,13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine?
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 17156263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).