5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile

C14H17ClN2 — CID 64908917

IUPAC5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile
SMILESCC1CCC(Nc2ccc(Cl)cc2C#N)C1C
InChIInChI=1S/C14H17ClN2/c1-9-3-5-13(10(9)2)17-14-6-4-12(15)7-11(14)8-16/h4,6-7,9-10,13,17H,3,5H2,1-2H3
InChIKeyYTSPGFWADPPMCC-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.06
Rot. Bonds2

About 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile

5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile (PubChem CID 64908917) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile
PubChem CID64908917
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile
SMILESCC1CCC(Nc2ccc(Cl)cc2C#N)C1C
InChIInChI=1S/C14H17ClN2/c1-9-3-5-13(10(9)2)17-14-6-4-12(15)7-11(14)8-16/h4,6-7,9-10,13,17H,3,5H2,1-2H3
InChIKeyYTSPGFWADPPMCC-UHFFFAOYSA-N
XLogP4.06
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62494157
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
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5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
CID 64921035
2-[(2,3-dimethylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43153542
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533
2-[(2-methylcyclobutyl)amino]benzonitrile
CID 130554324
2-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-ylamino)-5-chlorobenzonitrile
CID 133364808
2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile
CID 107927565
5-chloro-2-[(4-methylcyclohexyl)methylamino]benzonitrile
CID 63511523
5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841
5-chloro-2-[(3-ethylsulfanylcyclopentyl)amino]benzonitrile
CID 103704814
2-[(2,4-dimethylcyclohexyl)amino]-5-fluorobenzonitrile
CID 63996705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile?
The IUPAC name of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile (CID 64908917) is 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile?
The canonical SMILES for 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile is CC1CCC(Nc2ccc(Cl)cc2C#N)C1C.
What is the InChIKey of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile?
The InChIKey is YTSPGFWADPPMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-3-5-13(10(9)2)17-14-6-4-12(15)7-11(14)8-16/h4,6-7,9-10,13,17H,3,5H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile?
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile has a molecular weight of 248.76 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile is sourced from PubChem (CID 64908917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).