3-benzyl-4-phenyl-N-propylbutan-2-amine

C20H27N — CID 66438552

IUPAC3-benzyl-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-3-14-21-17(2)20(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3
InChIKeyJWLHHKXGJXACMM-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.48
Rot. Bonds8

About 3-benzyl-4-phenyl-N-propylbutan-2-amine

3-benzyl-4-phenyl-N-propylbutan-2-amine (PubChem CID 66438552) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-benzyl-4-phenyl-N-propylbutan-2-amine
PubChem CID66438552
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-benzyl-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-3-14-21-17(2)20(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3
InChIKeyJWLHHKXGJXACMM-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-N-propylhexan-3-amine
CID 79307889
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
(2-benzyl-3-methylbutyl)benzene
CID 22277918
3-phenyl-N-propylpentan-2-amine
CID 66438754
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of 3-benzyl-4-phenyl-N-propylbutan-2-amine (CID 66438552) is 3-benzyl-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 3-benzyl-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 3-benzyl-4-phenyl-N-propylbutan-2-amine is CCCNC(C)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-phenyl-N-propylbutan-2-amine?
The InChIKey is JWLHHKXGJXACMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-14-21-17(2)20(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3.
What are the key properties of 3-benzyl-4-phenyl-N-propylbutan-2-amine?
3-benzyl-4-phenyl-N-propylbutan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 66438552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).