2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine

C20H27N — CID 79304006

IUPAC2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine
SMILESCNC(C(C)C)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-16(2)20(21-3)19(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16,19-21H,14-15H2,1-3H3
InChIKeyIXGWNQZMUPFJHJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.33
Rot. Bonds7

About 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine

2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine (PubChem CID 79304006) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine.

Molecular Properties

Compound Name2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine
PubChem CID79304006
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine
SMILESCNC(C(C)C)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-16(2)20(21-3)19(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16,19-21H,14-15H2,1-3H3
InChIKeyIXGWNQZMUPFJHJ-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-benzyl-3-methylbutyl)benzene
CID 22277918
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-ethyl-2,4-dimethyl-1-phenylpentan-3-amine
CID 79299268
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
2-benzyl-3-methylbutan-1-amine
CID 59900587
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
N,2,3-trimethyl-4-phenylbutan-1-amine
CID 81016315
2,3-dimethylbutylbenzene
CID 12054035
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine?
The IUPAC name of 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine (CID 79304006) is 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine.
What is the SMILES notation for 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine?
The canonical SMILES for 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine is CNC(C(C)C)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine?
The InChIKey is IXGWNQZMUPFJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-16(2)20(21-3)19(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16,19-21H,14-15H2,1-3H3.
What are the key properties of 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine?
2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine has a molecular weight of 281.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine is sourced from PubChem (CID 79304006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).