N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine

C13H18Cl2N2 — CID 65386057

IUPACN-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c14-9-5-6-11(12(15)7-9)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4,8,16H2
InChIKeyBLURSPSSFIPCPG-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.53
Rot. Bonds4

About N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine

N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine (PubChem CID 65386057) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
PubChem CID65386057
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c14-9-5-6-11(12(15)7-9)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4,8,16H2
InChIKeyBLURSPSSFIPCPG-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
CID 114843249
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
CID 66158422
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
2-(cyclohexylamino)-2-(2,4-dichlorophenyl)acetamide
CID 54894576
3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185454
3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185302
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988
1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine
CID 79426966
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine (CID 65386057) is N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine is NCC(NC1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is BLURSPSSFIPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-9-5-6-11(12(15)7-9)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4,8,16H2.
What are the key properties of N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine?
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 273.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65386057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).