N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine

C14H21ClN2 — CID 39356192

IUPACN'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
SMILESNCCN(Cc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C14H21ClN2/c15-13-5-3-4-12(10-13)11-17(9-8-16)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,16H2
InChIKeyOXBAPEMVCJFDIR-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.04
Rot. Bonds5

About N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine

N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine (PubChem CID 39356192) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
PubChem CID39356192
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
SMILESNCCN(Cc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C14H21ClN2/c15-13-5-3-4-12(10-13)11-17(9-8-16)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,16H2
InChIKeyOXBAPEMVCJFDIR-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
CID 63389670
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
CID 66568165
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine
CID 91830249
N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102677225

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine (CID 39356192) is N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine is NCCN(Cc1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine?
The InChIKey is OXBAPEMVCJFDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-13-5-3-4-12(10-13)11-17(9-8-16)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,16H2.
What are the key properties of N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine?
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 39356192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).