3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine

C13H19ClN2 — CID 79462351

IUPAC3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(15)8-13/h2-5,9,12-13,16H,6-8,15H2,1H3
InChIKeyZZBIDOQOUAQADV-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.87
Rot. Bonds3

About 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine

3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine (PubChem CID 79462351) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
PubChem CID79462351
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(15)8-13/h2-5,9,12-13,16H,6-8,15H2,1H3
InChIKeyZZBIDOQOUAQADV-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740
N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560864
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine (CID 79462351) is 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine is CC(NC1CCC(N)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine?
The InChIKey is ZZBIDOQOUAQADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(15)8-13/h2-5,9,12-13,16H,6-8,15H2,1H3.
What are the key properties of 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine?
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine has a molecular weight of 238.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79462351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).