2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile

C16H15ClN2 — CID 43347988

IUPAC2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccccc1C(C)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11-5-3-4-6-15(11)12(2)19-14-8-7-13(10-18)16(17)9-14/h3-9,12,19H,1-2H3
InChIKeyJZEGEDYCJNWNSP-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.69
Rot. Bonds3

About 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile

2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile (PubChem CID 43347988) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
PubChem CID43347988
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccccc1C(C)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11-5-3-4-6-15(11)12(2)19-14-8-7-13(10-18)16(17)9-14/h3-9,12,19H,1-2H3
InChIKeyJZEGEDYCJNWNSP-UHFFFAOYSA-N
XLogP4.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile
CID 55151861
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118
2-chloro-4-[1-(2-methoxy-4-methylphenyl)ethylamino]benzonitrile
CID 43775126
4-[1-(4-bromophenyl)ethylamino]-2-chlorobenzonitrile
CID 43348025
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
2-chloro-4-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]benzonitrile
CID 133314572
4-[1-(1-benzothiophen-2-yl)ethylamino]-2-chlorobenzonitrile
CID 114909699
2-chloro-4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]benzonitrile
CID 115658366
N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
CID 43099518
2-chloro-4-[1-(1-phenyltriazol-4-yl)ethylamino]benzonitrile
CID 133365391
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile?
The IUPAC name of 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile (CID 43347988) is 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile?
The canonical SMILES for 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile is Cc1ccccc1C(C)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile?
The InChIKey is JZEGEDYCJNWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-5-3-4-6-15(11)12(2)19-14-8-7-13(10-18)16(17)9-14/h3-9,12,19H,1-2H3.
What are the key properties of 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile?
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 43347988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).