2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine

C17H25BrClN — CID 107190878

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)C1CCCCC1(C)C
InChIInChI=1S/C17H25BrClN/c1-17(2)9-5-4-6-14(17)16(20-3)10-12-7-8-13(18)11-15(12)19/h7-8,11,14,16,20H,4-6,9-10H2,1-3H3
InChIKeyKJCKAFPZUXLFRT-UHFFFAOYSA-N
MW358.75 g/mol
LogP5.45
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 107190878) has the molecular formula C17H25BrClN and a molecular weight of 358.75 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
PubChem CID107190878
Molecular FormulaC17H25BrClN
Molecular Weight358.75 g/mol
Exact Mass357.09
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)C1CCCCC1(C)C
InChIInChI=1S/C17H25BrClN/c1-17(2)9-5-4-6-14(17)16(20-3)10-12-7-8-13(18)11-15(12)19/h7-8,11,14,16,20H,4-6,9-10H2,1-3H3
InChIKeyKJCKAFPZUXLFRT-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.75
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine with MolForge

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004984
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144
N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107191840
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107188347
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine (CID 107190878) is 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)C1CCCCC1(C)C.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is KJCKAFPZUXLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClN/c1-17(2)9-5-4-6-14(17)16(20-3)10-12-7-8-13(18)11-15(12)19/h7-8,11,14,16,20H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 358.75 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 107190878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).