2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine

C16H24BrN — CID 55186434

IUPAC2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)C1CCCC(C)C1
InChIInChI=1S/C16H24BrN/c1-12-4-3-5-14(10-12)16(18-2)11-13-6-8-15(17)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3
InChIKeyWTJOVPOSIVHVDV-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.41
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine

2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (PubChem CID 55186434) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
PubChem CID55186434
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)C1CCCC(C)C1
InChIInChI=1S/C16H24BrN/c1-12-4-3-5-14(10-12)16(18-2)11-13-6-8-15(17)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3
InChIKeyWTJOVPOSIVHVDV-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740
2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303
2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 61065850
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
[2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210294
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
[2-(4-bromophenyl)-1-(3,5-dimethylcyclohexyl)ethyl]hydrazine
CID 105195626
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 64730116
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (CID 55186434) is 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is CNC(Cc1ccc(Br)cc1)C1CCCC(C)C1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is WTJOVPOSIVHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-4-3-5-14(10-12)16(18-2)11-13-6-8-15(17)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 310.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 55186434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).