N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine

C24H27NO — CID 2846404

IUPACN-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO/c1-19(13-14-20-15-17-23(26-2)18-16-20)25-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-19,24-25H,13-14H2,1-2H3
InChIKeyYKFBBRHFWPWXRS-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.40
Rot. Bonds8

About N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine

N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 2846404) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
PubChem CID2846404
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC NameN-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO/c1-19(13-14-20-15-17-23(26-2)18-16-20)25-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-19,24-25H,13-14H2,1-2H3
InChIKeyYKFBBRHFWPWXRS-UHFFFAOYSA-N
XLogP5.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide
CID 95588807
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9445831
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine (CID 2846404) is N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is YKFBBRHFWPWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-19(13-14-20-15-17-23(26-2)18-16-20)25-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-19,24-25H,13-14H2,1-2H3.
What are the key properties of N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine?
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 345.49 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 2846404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).