N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

C24H26FNO — CID 17155887

IUPACN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cccc(OCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C24H26FNO/c1-2-9-24(20-11-4-3-5-12-20)26-17-19-10-8-14-22(16-19)27-18-21-13-6-7-15-23(21)25/h3-8,10-16,24,26H,2,9,17-18H2,1H3
InChIKeyJGZPHKKSOHTNDI-UHFFFAOYSA-N
MW363.48 g/mol
LogP6.04
Rot. Bonds9

About N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (PubChem CID 17155887) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
PubChem CID17155887
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cccc(OCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C24H26FNO/c1-2-9-24(20-11-4-3-5-12-20)26-17-19-10-8-14-22(16-19)27-18-21-13-6-7-15-23(21)25/h3-8,10-16,24,26H,2,9,17-18H2,1H3
InChIKeyJGZPHKKSOHTNDI-UHFFFAOYSA-N
XLogP6.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(2-fluorophenyl)methoxy]phenyl]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-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 99124287
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
CID 154512400
N-[(3-bromo-4-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222005
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (CID 17155887) is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is CCCC(NCc1cccc(OCc2ccccc2F)c1)c1ccccc1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The InChIKey is JGZPHKKSOHTNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO/c1-2-9-24(20-11-4-3-5-12-20)26-17-19-10-8-14-22(16-19)27-18-21-13-6-7-15-23(21)25/h3-8,10-16,24,26H,2,9,17-18H2,1H3.
What are the key properties of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine has a molecular weight of 363.48 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 17155887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).