2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile

C14H16Cl2N2 — CID 62741470

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-12-5-4-10(13(16)8-12)6-7-18-14-3-1-2-11(14)9-17/h4-5,8,11,14,18H,1-3,6-7H2
InChIKeySMQJVMVJCXIBFG-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile

2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 62741470) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID62741470
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-12-5-4-10(13(16)8-12)6-7-18-14-3-1-2-11(14)9-17/h4-5,8,11,14,18H,1-3,6-7H2
InChIKeySMQJVMVJCXIBFG-UHFFFAOYSA-N
XLogP3.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 64774529
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2849596
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926
N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774730
2-[2-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 114140415
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
2-[(2,4-dihydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 55151977
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile (CID 62741470) is 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile is N#CC1CCCC1NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is SMQJVMVJCXIBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-12-5-4-10(13(16)8-12)6-7-18-14-3-1-2-11(14)9-17/h4-5,8,11,14,18H,1-3,6-7H2.
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 283.20 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).