2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine

C17H27ClN2 — CID 62984217

IUPAC2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCC1)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(12-19-17-6-4-5-7-17)20(3)14(2)15-8-10-16(18)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3
InChIKeySPOHEGGXTSFOBZ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds6

About 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine

2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine (PubChem CID 62984217) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
PubChem CID62984217
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCC1)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(12-19-17-6-4-5-7-17)20(3)14(2)15-8-10-16(18)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3
InChIKeySPOHEGGXTSFOBZ-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62985090
2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
CID 63501762
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63501755
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63501756
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine (CID 62984217) is 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine is CC(CNC1CCCC1)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The InChIKey is SPOHEGGXTSFOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(12-19-17-6-4-5-7-17)20(3)14(2)15-8-10-16(18)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3.
What are the key properties of 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62984217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).