N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine

C17H25BrClN — CID 115567623

IUPACN-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)C1CCCC(CC)C1
InChIInChI=1S/C17H25BrClN/c1-3-12-6-5-7-13(10-12)17(20-4-2)14-8-9-16(19)15(18)11-14/h8-9,11-13,17,20H,3-7,10H2,1-2H3
InChIKeyVRADJDCYTAHWLD-UHFFFAOYSA-N
MW358.75 g/mol
LogP5.97
Rot. Bonds5

About N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine

N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine (PubChem CID 115567623) has the molecular formula C17H25BrClN and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
PubChem CID115567623
Molecular FormulaC17H25BrClN
Molecular Weight358.75 g/mol
Exact Mass357.09
IUPAC NameN-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)C1CCCC(CC)C1
InChIInChI=1S/C17H25BrClN/c1-3-12-6-5-7-13(10-12)17(20-4-2)14-8-9-16(19)15(18)11-14/h8-9,11-13,17,20H,3-7,10H2,1-2H3
InChIKeyVRADJDCYTAHWLD-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.75
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromo-4-chlorophenyl)-(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

N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992274
N-[(3-bromo-4-chlorophenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 83230319
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
[(4-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105193324
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107985076
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine (CID 115567623) is N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Br)c1)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is VRADJDCYTAHWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClN/c1-3-12-6-5-7-13(10-12)17(20-4-2)14-8-9-16(19)15(18)11-14/h8-9,11-13,17,20H,3-7,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 358.75 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 115567623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).