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

C16H24BrN — CID 63414740

IUPAC2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cc1cccc(Br)c1)C1CCCC(C)C1
InChIInChI=1S/C16H24BrN/c1-12-5-3-7-14(9-12)16(18-2)11-13-6-4-8-15(17)10-13/h4,6,8,10,12,14,16,18H,3,5,7,9,11H2,1-2H3
InChIKeyQEUCUOGYSFTAFJ-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.41
Rot. Bonds4

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

2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (PubChem CID 63414740) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
PubChem CID63414740
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cc1cccc(Br)c1)C1CCCC(C)C1
InChIInChI=1S/C16H24BrN/c1-12-5-3-7-14(9-12)16(18-2)11-13-6-4-8-15(17)10-13/h4,6,8,10,12,14,16,18H,3,5,7,9,11H2,1-2H3
InChIKeyQEUCUOGYSFTAFJ-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-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
[2-(3-bromophenyl)-1-cyclobutylethyl]hydrazine
CID 105202856
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
[2-(3-chlorophenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105194883
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (CID 63414740) is 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is CNC(Cc1cccc(Br)c1)C1CCCC(C)C1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is QEUCUOGYSFTAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-5-3-7-14(9-12)16(18-2)11-13-6-4-8-15(17)10-13/h4,6,8,10,12,14,16,18H,3,5,7,9,11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
2-(3-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-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 63414740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).