4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine

C27H33N — CID 159418056

IUPAC4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
SMILESCc1ccc(CCCCNCCC(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H33N/c1-22-11-15-24(16-12-22)8-6-7-20-28-21-19-27(25-9-4-3-5-10-25)26-17-13-23(2)14-18-26/h3-5,9-18,27-28H,6-8,19-21H2,1-2H3
InChIKeyPHSSXEKVNRMFTH-UHFFFAOYSA-N
MW371.57 g/mol
LogP6.44
Rot. Bonds10

About 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine

4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine (PubChem CID 159418056) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
PubChem CID159418056
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC Name4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
SMILESCc1ccc(CCCCNCCC(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H33N/c1-22-11-15-24(16-12-22)8-6-7-20-28-21-19-27(25-9-4-3-5-10-25)26-17-13-23(2)14-18-26/h3-5,9-18,27-28H,6-8,19-21H2,1-2H3
InChIKeyPHSSXEKVNRMFTH-UHFFFAOYSA-N
XLogP6.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.44
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

N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547
CID 144815287
CID 144815287
N-(3,3-diphenylpropyl)octadecan-1-amine;hydrate
CID 173442181
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine
CID 118579652
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 156579514
4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
CID 118180240
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine (CID 159418056) is 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine is Cc1ccc(CCCCNCCC(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine?
The InChIKey is PHSSXEKVNRMFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N/c1-22-11-15-24(16-12-22)8-6-7-20-28-21-19-27(25-9-4-3-5-10-25)26-17-13-23(2)14-18-26/h3-5,9-18,27-28H,6-8,19-21H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine?
4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine has a molecular weight of 371.57 g/mol, XLogP of 6.44, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine is sourced from PubChem (CID 159418056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).