N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine

C17H25Cl2N — CID 104992303

IUPACN-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cccc1Cl)C1CCCC(CC)C1
InChIInChI=1S/C17H25Cl2N/c1-3-12-7-5-8-13(11-12)17(20-4-2)16-14(18)9-6-10-15(16)19/h6,9-10,12-13,17,20H,3-5,7-8,11H2,1-2H3
InChIKeyVSKYXSVDALZQSF-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.86
Rot. Bonds5

About N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine

N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine (PubChem CID 104992303) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
PubChem CID104992303
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cccc1Cl)C1CCCC(CC)C1
InChIInChI=1S/C17H25Cl2N/c1-3-12-7-5-8-13(11-12)17(20-4-2)16-14(18)9-6-10-15(16)19/h6,9-10,12-13,17,20H,3-5,7-8,11H2,1-2H3
InChIKeyVSKYXSVDALZQSF-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine 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

2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
CID 107308723
N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 115567623
[(2-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105211066
N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107985076
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992274
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424
[cyclobutyl-(2,6-dichlorophenyl)methyl]hydrazine
CID 105340127
[(4-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105193324

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine (CID 104992303) is N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine is CCNC(c1c(Cl)cccc1Cl)C1CCCC(CC)C1.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is VSKYXSVDALZQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-12-7-5-8-13(11-12)17(20-4-2)16-14(18)9-6-10-15(16)19/h6,9-10,12-13,17,20H,3-5,7-8,11H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104992303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).