2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile

C14H18ClN3 — CID 55161481

IUPAC2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
SMILESCN(CCN1CCCC1)c1cccc(Cl)c1C#N
InChIInChI=1S/C14H18ClN3/c1-17(9-10-18-7-2-3-8-18)14-6-4-5-13(15)12(14)11-16/h4-6H,2-3,7-10H2,1H3
InChIKeyGFEZDEWSXKRWQD-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.74
Rot. Bonds4

About 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile

2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile (PubChem CID 55161481) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
PubChem CID55161481
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
SMILESCN(CCN1CCCC1)c1cccc(Cl)c1C#N
InChIInChI=1S/C14H18ClN3/c1-17(9-10-18-7-2-3-8-18)14-6-4-5-13(15)12(14)11-16/h4-6H,2-3,7-10H2,1H3
InChIKeyGFEZDEWSXKRWQD-UHFFFAOYSA-N
XLogP2.74
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]-6-chlorobenzonitrile
CID 60678513
3-(3-chloro-2-cyano-N-methylanilino)-N-methylpropanamide
CID 106915465
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-chlorobenzonitrile
CID 79652568
5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 114890672
2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79720085
4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 81306441
2-bromo-3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 107533663
2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
CID 62497687
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 60678010
2-(3-chloro-2-cyano-N-methylanilino)-N,N-diethylacetamide
CID 60678246
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
2-chloro-6-[1-(2-chlorophenyl)ethyl-methylamino]benzonitrile
CID 63510170

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The IUPAC name of 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile (CID 55161481) is 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The canonical SMILES for 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile is CN(CCN1CCCC1)c1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The InChIKey is GFEZDEWSXKRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-17(9-10-18-7-2-3-8-18)14-6-4-5-13(15)12(14)11-16/h4-6H,2-3,7-10H2,1H3.
What are the key properties of 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile has a molecular weight of 263.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile is sourced from PubChem (CID 55161481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).