1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

C16H24BrClN2 — CID 66158019

IUPAC1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cc(Cl)ccc1Br
InChIInChI=1S/C16H24BrClN2/c1-11-5-3-4-6-15(11)20(2)16(10-19)13-9-12(18)7-8-14(13)17/h7-9,11,15-16H,3-6,10,19H2,1-2H3
InChIKeySGFZSNMXLRUJSL-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.61
Rot. Bonds4

About 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 66158019) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID66158019
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cc(Cl)ccc1Br
InChIInChI=1S/C16H24BrClN2/c1-11-5-3-4-6-15(11)20(2)16(10-19)13-9-12(18)7-8-14(13)17/h7-9,11,15-16H,3-6,10,19H2,1-2H3
InChIKeySGFZSNMXLRUJSL-UHFFFAOYSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)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-(2-bromo-5-chlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 66156239
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63464689
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 66157032
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 106528596
N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55004874
N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 55005212
1-(2-bromo-5-methoxyphenyl)-N-cyclopropyl-N-methylethane-1,2-diamine
CID 114077687
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 66158412
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
CID 66158422
1-(2-bromo-4-chlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733997
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114843364
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 66158220

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (CID 66158019) is 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is CC1CCCCC1N(C)C(CN)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is SGFZSNMXLRUJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-11-5-3-4-6-15(11)20(2)16(10-19)13-9-12(18)7-8-14(13)17/h7-9,11,15-16H,3-6,10,19H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 359.74 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 66158019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).