2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine

C16H23BrFN — CID 63415205

IUPAC2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1CCCC(C)C1
InChIInChI=1S/C16H23BrFN/c1-11-4-3-5-12(8-11)16(19-2)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3
InChIKeyVFVGFOZXGZGQRC-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (PubChem CID 63415205) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
PubChem CID63415205
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1CCCC(C)C1
InChIInChI=1S/C16H23BrFN/c1-11-4-3-5-12(8-11)16(19-2)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3
InChIKeyVFVGFOZXGZGQRC-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105232962
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
[2-(5-fluoro-2-methylphenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105377769
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115843648
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine (CID 63415205) is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is CNC(Cc1cc(F)ccc1Br)C1CCCC(C)C1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is VFVGFOZXGZGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-11-4-3-5-12(8-11)16(19-2)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 328.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 63415205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).