4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine

C26H31N — CID 10316304

IUPAC4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
SMILESCC(CCc1ccccc1)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N/c1-22(19-20-23-12-5-2-6-13-23)27-21-11-18-26(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,22,26-27H,11,18-21H2,1H3
InChIKeyWCCVPAKHBKPAIV-UHFFFAOYSA-N
MW357.54 g/mol
LogP6.21
Rot. Bonds10

About 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine

4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine (PubChem CID 10316304) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
PubChem CID10316304
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Name4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
SMILESCC(CCc1ccccc1)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N/c1-22(19-20-23-12-5-2-6-13-23)27-21-11-18-26(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,22,26-27H,11,18-21H2,1H3
InChIKeyWCCVPAKHBKPAIV-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine
CID 60975904
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
6-phenyl-N-propylhexan-2-amine
CID 61485022
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 15858785

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine?
The IUPAC name of 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine (CID 10316304) is 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine?
The canonical SMILES for 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine is CC(CCc1ccccc1)NCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine?
The InChIKey is WCCVPAKHBKPAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-22(19-20-23-12-5-2-6-13-23)27-21-11-18-26(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,22,26-27H,11,18-21H2,1H3.
What are the key properties of 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine?
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine has a molecular weight of 357.54 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine is sourced from PubChem (CID 10316304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).