4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile

C13H15ClN2 — CID 63093750

IUPAC4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
SMILESCN(c1cc(Cl)ccc1C#N)C1CCCC1
InChIInChI=1S/C13H15ClN2/c1-16(12-4-2-3-5-12)13-8-11(14)7-6-10(13)9-15/h6-8,12H,2-5H2,1H3
InChIKeyLIEPTHGIECFJFF-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.59
Rot. Bonds2

About 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile

4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile (PubChem CID 63093750) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
PubChem CID63093750
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
SMILESCN(c1cc(Cl)ccc1C#N)C1CCCC1
InChIInChI=1S/C13H15ClN2/c1-16(12-4-2-3-5-12)13-8-11(14)7-6-10(13)9-15/h6-8,12H,2-5H2,1H3
InChIKeyLIEPTHGIECFJFF-UHFFFAOYSA-N
XLogP3.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzonitrile
CID 63094075
5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
4-bromo-2-[cyclopropyl(methyl)amino]benzonitrile
CID 114901416
5-chloro-2-[methyl(piperidin-3-yl)amino]benzonitrile
CID 55249514
4-chloro-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 63094076
5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
CID 114890449
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669
4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490
4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzonitrile
CID 63509836
2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine
CID 174746567

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile?
The IUPAC name of 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile (CID 63093750) is 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile is CN(c1cc(Cl)ccc1C#N)C1CCCC1.
What is the InChIKey of 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile?
The InChIKey is LIEPTHGIECFJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-16(12-4-2-3-5-12)13-8-11(14)7-6-10(13)9-15/h6-8,12H,2-5H2,1H3.
What are the key properties of 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile?
4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile has a molecular weight of 234.73 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile is sourced from PubChem (CID 63093750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).