4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine

C20H27N — CID 63462088

IUPAC4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
SMILESCc1cccc(CCC(C)NC(C)Cc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-16-8-7-11-20(14-16)13-12-17(2)21-18(3)15-19-9-5-4-6-10-19/h4-11,14,17-18,21H,12-13,15H2,1-3H3
InChIKeyLBKCCYHHKOGPCL-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.54
Rot. Bonds7

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

4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine (PubChem CID 63462088) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
PubChem CID63462088
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
SMILESCc1cccc(CCC(C)NC(C)Cc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-16-8-7-11-20(14-16)13-12-17(2)21-18(3)15-19-9-5-4-6-10-19/h4-11,14,17-18,21H,12-13,15H2,1-3H3
InChIKeyLBKCCYHHKOGPCL-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine (CID 63462088) is 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine is Cc1cccc(CCC(C)NC(C)Cc2ccccc2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine?
The InChIKey is LBKCCYHHKOGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-16-8-7-11-20(14-16)13-12-17(2)21-18(3)15-19-9-5-4-6-10-19/h4-11,14,17-18,21H,12-13,15H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine?
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.54, 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-phenylpropan-2-yl)butan-2-amine is sourced from PubChem (CID 63462088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).