N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine

C15H22Cl2N2 — CID 65381340

IUPACN-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c16-13-8-7-11(9-14(13)17)15(10-18)19-12-5-3-1-2-4-6-12/h7-9,12,15,19H,1-6,10,18H2
InChIKeyKSHZYULORRGDFW-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.31
Rot. Bonds4

About N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine

N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine (PubChem CID 65381340) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
PubChem CID65381340
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c16-13-8-7-11(9-14(13)17)15(10-18)19-12-5-3-1-2-4-6-12/h7-9,12,15,19H,1-6,10,18H2
InChIKeyKSHZYULORRGDFW-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544905
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
1-(7-chloro-1,3-benzodioxol-5-yl)-N-cycloheptylethane-1,2-diamine
CID 65381952
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
CID 113469387

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine (CID 65381340) is N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine is NCC(NC1CCCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is KSHZYULORRGDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c16-13-8-7-11(9-14(13)17)15(10-18)19-12-5-3-1-2-4-6-12/h7-9,12,15,19H,1-6,10,18H2.
What are the key properties of N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 301.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65381340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).