1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine

C20H27N — CID 79008837

IUPAC1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N/c1-4-20(14-17-8-6-5-7-9-17)21-15-18-10-12-19(13-11-18)16(2)3/h5-13,16,20-21H,4,14-15H2,1-3H3
InChIKeyOJURUKLNYMQXBW-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.92
Rot. Bonds7

About 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine

1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine (PubChem CID 79008837) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
PubChem CID79008837
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N/c1-4-20(14-17-8-6-5-7-9-17)21-15-18-10-12-19(13-11-18)16(2)3/h5-13,16,20-21H,4,14-15H2,1-3H3
InChIKeyOJURUKLNYMQXBW-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809
N-[(3-chloro-4-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 79008350
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 78924574
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The IUPAC name of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine (CID 79008837) is 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The canonical SMILES for 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine is CCC(Cc1ccccc1)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The InChIKey is OJURUKLNYMQXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-20(14-17-8-6-5-7-9-17)21-15-18-10-12-19(13-11-18)16(2)3/h5-13,16,20-21H,4,14-15H2,1-3H3.
What are the key properties of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 79008837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).