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

C16H15ClN2 — CID 55209456

IUPAC5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccc(C(C)Nc2ccc(Cl)cc2C#N)cc1
InChIInChI=1S/C16H15ClN2/c1-11-3-5-13(6-4-11)12(2)19-16-8-7-15(17)9-14(16)10-18/h3-9,12,19H,1-2H3
InChIKeyFRYCQZHUXAHBRD-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.69
Rot. Bonds3

About 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile

5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile (PubChem CID 55209456) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
PubChem CID55209456
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccc(C(C)Nc2ccc(Cl)cc2C#N)cc1
InChIInChI=1S/C16H15ClN2/c1-11-3-5-13(6-4-11)12(2)19-16-8-7-15(17)9-14(16)10-18/h3-9,12,19H,1-2H3
InChIKeyFRYCQZHUXAHBRD-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

2-[1-(4-bromophenyl)ethylamino]-5-methylbenzonitrile
CID 107927205
2-(but-3-yn-2-ylamino)-5-chlorobenzonitrile
CID 114417378
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzonitrile
CID 62494887
2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile
CID 107927606
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
CID 43111374
2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile
CID 63081768
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
CID 62494326
5-chloro-2-(4-propan-2-ylanilino)benzonitrile
CID 63510225
4-chloro-2-[1-(3-chloro-4-fluorophenyl)ethylamino]benzonitrile
CID 43681452
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile
CID 62495199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile?
The IUPAC name of 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile (CID 55209456) is 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile?
The canonical SMILES for 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile is Cc1ccc(C(C)Nc2ccc(Cl)cc2C#N)cc1.
What is the InChIKey of 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile?
The InChIKey is FRYCQZHUXAHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-3-5-13(6-4-11)12(2)19-16-8-7-15(17)9-14(16)10-18/h3-9,12,19H,1-2H3.
What are the key properties of 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile?
5-chloro-2-[1-(4-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 5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 55209456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).