2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile

C20H23ClN2 — CID 13316570

IUPAC2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
SMILESCN(C)CCC(C#N)(CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2/c1-23(2)15-14-20(16-22,18-10-6-7-11-19(18)21)13-12-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3
InChIKeyLHCQYSCPUJEECX-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.69
Rot. Bonds7

About 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile

2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile (PubChem CID 13316570) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
PubChem CID13316570
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
SMILESCN(C)CCC(C#N)(CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2/c1-23(2)15-14-20(16-22,18-10-6-7-11-19(18)21)13-12-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3
InChIKeyLHCQYSCPUJEECX-UHFFFAOYSA-N
XLogP4.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N,N,3-trimethyl-5-phenylpentan-1-amine
CID 57242840
2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile
CID 13316566
2-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-phenylbutanenitrile
CID 13316584
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725
(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
CID 125482749
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977
2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile
CID 23047304
2-(2-chlorophenyl)-5-phenylpentan-2-amine
CID 62621449
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
CID 10012396
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile (CID 13316570) is 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile is CN(C)CCC(C#N)(CCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile?
The InChIKey is LHCQYSCPUJEECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2/c1-23(2)15-14-20(16-22,18-10-6-7-11-19(18)21)13-12-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile?
2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile has a molecular weight of 326.87 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile is sourced from PubChem (CID 13316570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).