4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile

C16H15ClN2 — CID 43111374

IUPAC4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
SMILESCc1cc(Cl)ccc1NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H15ClN2/c1-11-9-15(17)7-8-16(11)19-12(2)14-5-3-13(10-18)4-6-14/h3-9,12,19H,1-2H3
InChIKeyVZPKXMATROLJCZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.69
Rot. Bonds3

About 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile

4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile (PubChem CID 43111374) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
PubChem CID43111374
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
SMILESCc1cc(Cl)ccc1NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H15ClN2/c1-11-9-15(17)7-8-16(11)19-12(2)14-5-3-13(10-18)4-6-14/h3-9,12,19H,1-2H3
InChIKeyVZPKXMATROLJCZ-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-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
CID 55209456
4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 63476911
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
4-[1-(2,6-difluoro-3-methylanilino)ethyl]benzonitrile
CID 82818775
3-chloro-4-[1-(3,4-dichlorophenyl)ethylamino]benzonitrile
CID 107807205
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile
CID 63081768
3-amino-4-(4-chloro-2-methylanilino)benzonitrile
CID 82483242
2-[4-[1-(2,4-dichloroanilino)ethyl]phenoxy]acetonitrile
CID 43758671

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile?
The IUPAC name of 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile (CID 43111374) is 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile.
What is the SMILES notation for 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile?
The canonical SMILES for 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile is Cc1cc(Cl)ccc1NC(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile?
The InChIKey is VZPKXMATROLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-9-15(17)7-8-16(11)19-12(2)14-5-3-13(10-18)4-6-14/h3-9,12,19H,1-2H3.
What are the key properties of 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile?
4-[1-(4-chloro-2-methylanilino)ethyl]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 4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile is sourced from PubChem (CID 43111374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).