N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine

C24H26ClNO — CID 17211464

IUPACN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H26ClNO/c1-19(12-13-20-8-4-2-5-9-20)26-17-22-14-15-24(23(25)16-22)27-18-21-10-6-3-7-11-21/h2-11,14-16,19,26H,12-13,17-18H2,1H3
InChIKeyKRHMMUKSDXQIAE-UHFFFAOYSA-N
MW379.93 g/mol
LogP6.03
Rot. Bonds9

About N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine

N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine (PubChem CID 17211464) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine
PubChem CID17211464
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC NameN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H26ClNO/c1-19(12-13-20-8-4-2-5-9-20)26-17-22-14-15-24(23(25)16-22)27-18-21-10-6-3-7-11-21/h2-11,14-16,19,26H,12-13,17-18H2,1H3
InChIKeyKRHMMUKSDXQIAE-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-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine with MolForge

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211095
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211167
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211413
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
(2R)-N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 51992816
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211311
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17157638
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211228
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211280

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine (CID 17211464) is N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is KRHMMUKSDXQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO/c1-19(12-13-20-8-4-2-5-9-20)26-17-22-14-15-24(23(25)16-22)27-18-21-10-6-3-7-11-21/h2-11,14-16,19,26H,12-13,17-18H2,1H3.
What are the key properties of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine?
N-[(3-chloro-4-phenylmethoxyphenyl)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-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 17211464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).