3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine

C20H26ClN — CID 57242840

IUPAC3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine
SMILESCN(C)CCC(C)(CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H26ClN/c1-20(15-16-22(2)3,18-11-7-8-12-19(18)21)14-13-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3
InChIKeyDCWWKBIMCCVGCV-UHFFFAOYSA-N
MW315.89 g/mol
LogP5.18
Rot. Bonds7

About 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine

3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine (PubChem CID 57242840) has the molecular formula C20H26ClN and a molecular weight of 315.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine
PubChem CID57242840
Molecular FormulaC20H26ClN
Molecular Weight315.89 g/mol
Exact Mass315.18
IUPAC Name3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine
SMILESCN(C)CCC(C)(CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H26ClN/c1-20(15-16-22(2)3,18-11-7-8-12-19(18)21)14-13-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3
InChIKeyDCWWKBIMCCVGCV-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.89
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
CID 13316570
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977
2-(2-chlorophenyl)-5-phenylpentan-2-amine
CID 62621449
N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine
CID 57175425
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
[(3S)-3-ethyl-3-methylpent-4-ynyl]benzene
CID 134967754
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine (CID 57242840) is 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine is CN(C)CCC(C)(CCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine?
The InChIKey is DCWWKBIMCCVGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN/c1-20(15-16-22(2)3,18-11-7-8-12-19(18)21)14-13-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine?
3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine has a molecular weight of 315.89 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine is sourced from PubChem (CID 57242840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).