2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine

C16H25ClN2 — CID 55087963

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H25ClN2/c1-13(11-18-15-8-4-5-9-15)19(2)12-14-7-3-6-10-16(14)17/h3,6-7,10,13,15,18H,4-5,8-9,11-12H2,1-2H3
InChIKeyFFFGGOVAEKHCNB-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.69
Rot. Bonds6

About 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine

2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine (PubChem CID 55087963) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
PubChem CID55087963
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H25ClN2/c1-13(11-18-15-8-4-5-9-15)19(2)12-14-7-3-6-10-16(14)17/h3,6-7,10,13,15,18H,4-5,8-9,11-12H2,1-2H3
InChIKeyFFFGGOVAEKHCNB-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
1-N-cyclopentyl-2-N-methyl-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 62569436
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
CID 63501762
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62411724
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568215
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 62984217

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine (CID 55087963) is 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine is CC(CNC1CCCC1)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The InChIKey is FFFGGOVAEKHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(11-18-15-8-4-5-9-15)19(2)12-14-7-3-6-10-16(14)17/h3,6-7,10,13,15,18H,4-5,8-9,11-12H2,1-2H3.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55087963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).