5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile

C14H17ClN2 — CID 62494913

IUPAC5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
SMILESCCN(c1ccc(Cl)cc1C#N)C1CCCC1
InChIInChI=1S/C14H17ClN2/c1-2-17(13-5-3-4-6-13)14-8-7-12(15)9-11(14)10-16/h7-9,13H,2-6H2,1H3
InChIKeyQDFRQXZIIJTLGN-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile

5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile (PubChem CID 62494913) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
PubChem CID62494913
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
SMILESCCN(c1ccc(Cl)cc1C#N)C1CCCC1
InChIInChI=1S/C14H17ClN2/c1-2-17(13-5-3-4-6-13)14-8-7-12(15)9-11(14)10-16/h7-9,13H,2-6H2,1H3
InChIKeyQDFRQXZIIJTLGN-UHFFFAOYSA-N
XLogP3.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[cyclopropyl(propyl)amino]benzonitrile
CID 62494076
5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
5-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62492568
2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
CID 63093750
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
CID 114017453
5-chloro-2-[methyl(piperidin-3-yl)amino]benzonitrile
CID 55249514
5-chloro-2-[ethyl(propyl)amino]benzonitrile
CID 62494074
5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
CID 114848269
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile
CID 113444114

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile?
The IUPAC name of 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile (CID 62494913) is 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile.
What is the SMILES notation for 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile?
The canonical SMILES for 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile is CCN(c1ccc(Cl)cc1C#N)C1CCCC1.
What is the InChIKey of 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile?
The InChIKey is QDFRQXZIIJTLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-2-17(13-5-3-4-6-13)14-8-7-12(15)9-11(14)10-16/h7-9,13H,2-6H2,1H3.
What are the key properties of 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile?
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile has a molecular weight of 248.76 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile is sourced from PubChem (CID 62494913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).