2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine

C17H25BrFN — CID 65413527

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCCC(C(Cc2ccc(F)cc2Br)NC)C1
InChIInChI=1S/C17H25BrFN/c1-3-12-5-4-6-14(9-12)17(20-2)10-13-7-8-15(19)11-16(13)18/h7-8,11-12,14,17,20H,3-6,9-10H2,1-2H3
InChIKeyCCCSXUOOSGSKLZ-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.94
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine

2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine (PubChem CID 65413527) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
PubChem CID65413527
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCCC(C(Cc2ccc(F)cc2Br)NC)C1
InChIInChI=1S/C17H25BrFN/c1-3-12-5-4-6-14(9-12)17(20-2)10-13-7-8-15(19)11-16(13)18/h7-8,11-12,14,17,20H,3-6,9-10H2,1-2H3
InChIKeyCCCSXUOOSGSKLZ-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233480
[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105232962
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
[2-(2-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233141
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine (CID 65413527) is 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine is CCC1CCCC(C(Cc2ccc(F)cc2Br)NC)C1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine?
The InChIKey is CCCSXUOOSGSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-3-12-5-4-6-14(9-12)17(20-2)10-13-7-8-15(19)11-16(13)18/h7-8,11-12,14,17,20H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine has a molecular weight of 342.30 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 65413527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).