4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine

C20H27N — CID 63476581

IUPAC4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
SMILESCCC(NC(C)CCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-20(19-11-6-5-7-12-19)21-17(3)13-14-18-10-8-9-16(2)15-18/h5-12,15,17,20-21H,4,13-14H2,1-3H3
InChIKeyWYEPMGOBJGMBQY-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.06
Rot. Bonds7

About 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine

4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine (PubChem CID 63476581) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
PubChem CID63476581
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
SMILESCCC(NC(C)CCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-20(19-11-6-5-7-12-19)21-17(3)13-14-18-10-8-9-16(2)15-18/h5-12,15,17,20-21H,4,13-14H2,1-3H3
InChIKeyWYEPMGOBJGMBQY-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine (CID 63476581) is 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine is CCC(NC(C)CCc1cccc(C)c1)c1ccccc1.
What is the InChIKey of 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine?
The InChIKey is WYEPMGOBJGMBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-20(19-11-6-5-7-12-19)21-17(3)13-14-18-10-8-9-16(2)15-18/h5-12,15,17,20-21H,4,13-14H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine?
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine is sourced from PubChem (CID 63476581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).