N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine

C24H26ClNO — CID 17211167

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H26ClNO/c1-19(10-11-20-6-3-2-4-7-20)26-17-22-8-5-9-24(16-22)27-18-21-12-14-23(25)15-13-21/h2-9,12-16,19,26H,10-11,17-18H2,1H3
InChIKeyPWMFSFBHTMENMP-UHFFFAOYSA-N
MW379.93 g/mol
LogP6.03
Rot. Bonds9

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine (PubChem CID 17211167) 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]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
PubChem CID17211167
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H26ClNO/c1-19(10-11-20-6-3-2-4-7-20)26-17-22-8-5-9-24(16-22)27-18-21-12-14-23(25)15-13-21/h2-9,12-16,19,26H,10-11,17-18H2,1H3
InChIKeyPWMFSFBHTMENMP-UHFFFAOYSA-N
XLogP6.03
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 ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine with MolForge

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Related Compounds

4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
CID 82184802
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211095
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 17211464
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211092
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 66529561
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211168
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211413

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine (CID 17211167) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
The InChIKey is PWMFSFBHTMENMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO/c1-19(10-11-20-6-3-2-4-7-20)26-17-22-8-5-9-24(16-22)27-18-21-12-14-23(25)15-13-21/h2-9,12-16,19,26H,10-11,17-18H2,1H3.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine has a molecular weight of 379.93 g/mol, XLogP of 6.03, 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]-4-phenylbutan-2-amine is sourced from PubChem (CID 17211167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).