N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

C24H26ClNO — CID 17155842

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C24H26ClNO/c1-2-7-24(21-9-4-3-5-10-21)26-17-20-8-6-11-23(16-20)27-18-19-12-14-22(25)15-13-19/h3-6,8-16,24,26H,2,7,17-18H2,1H3
InChIKeyYPGYDFVNEIGTQW-UHFFFAOYSA-N
MW379.93 g/mol
LogP6.55
Rot. Bonds9

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (PubChem CID 17155842) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
PubChem CID17155842
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C24H26ClNO/c1-2-7-24(21-9-4-3-5-10-21)26-17-20-8-6-11-23(16-20)27-18-19-12-14-22(25)15-13-19/h3-6,8-16,24,26H,2,7,17-18H2,1H3
InChIKeyYPGYDFVNEIGTQW-UHFFFAOYSA-N
XLogP6.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(4-chlorophenyl)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-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155887
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211167
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155917
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155741
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
N-[(3-bromo-4-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222005
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156142

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (CID 17155842) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is CCCC(NCc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The InChIKey is YPGYDFVNEIGTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO/c1-2-7-24(21-9-4-3-5-10-21)26-17-20-8-6-11-23(16-20)27-18-19-12-14-22(25)15-13-19/h3-6,8-16,24,26H,2,7,17-18H2,1H3.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine has a molecular weight of 379.93 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 17155842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).