5-[(2-chlorophenyl)methylamino]pentanenitrile

C12H15ClN2 — CID 60688443

IUPAC5-[(2-chlorophenyl)methylamino]pentanenitrile
SMILESN#CCCCCNCc1ccccc1Cl
InChIInChI=1S/C12H15ClN2/c13-12-7-3-2-6-11(12)10-15-9-5-1-4-8-14/h2-3,6-7,15H,1,4-5,9-10H2
InChIKeyBRMWXXJUMAETGY-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.12
Rot. Bonds6

About 5-[(2-chlorophenyl)methylamino]pentanenitrile

5-[(2-chlorophenyl)methylamino]pentanenitrile (PubChem CID 60688443) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]pentanenitrile
PubChem CID60688443
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name5-[(2-chlorophenyl)methylamino]pentanenitrile
SMILESN#CCCCCNCc1ccccc1Cl
InChIInChI=1S/C12H15ClN2/c13-12-7-3-2-6-11(12)10-15-9-5-1-4-8-14/h2-3,6-7,15H,1,4-5,9-10H2
InChIKeyBRMWXXJUMAETGY-UHFFFAOYSA-N
XLogP3.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
5-[(2-methylphenyl)methylamino]pentanenitrile
CID 60695206
2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870
N-[(2,3-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694161
3-[(3-chloro-2-fluorophenyl)methylamino]propanenitrile
CID 114487253
5-[(2,4-dihydroxyphenyl)methylamino]pentanenitrile
CID 115614389
4-[2-chloro-6-(propylaminomethyl)phenoxy]butanenitrile
CID 112609440
N'-[(2-chlorophenyl)methyl]-N-[2-[2-[7-[(2-chlorophenyl)methylamino]heptylamino]ethyldisulfanyl]ethyl]heptane-1,7-diamine;hydrochloride
CID 90679903
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186
N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689
3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
CID 102663839
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]pentanenitrile?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]pentanenitrile (CID 60688443) is 5-[(2-chlorophenyl)methylamino]pentanenitrile.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]pentanenitrile?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]pentanenitrile is N#CCCCCNCc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]pentanenitrile?
The InChIKey is BRMWXXJUMAETGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-12-7-3-2-6-11(12)10-15-9-5-1-4-8-14/h2-3,6-7,15H,1,4-5,9-10H2.
What are the key properties of 5-[(2-chlorophenyl)methylamino]pentanenitrile?
5-[(2-chlorophenyl)methylamino]pentanenitrile has a molecular weight of 222.72 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]pentanenitrile is sourced from PubChem (CID 60688443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).