2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine

C18H27BrFN — CID 65424573

IUPAC2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Br)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H27BrFN/c1-12(2)13-4-6-14(7-5-13)18(21-3)10-15-8-9-16(20)11-17(15)19/h8-9,11-14,18,21H,4-7,10H2,1-3H3
InChIKeyPMSVGFNWCWNDEG-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.18
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 65424573) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID65424573
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Br)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H27BrFN/c1-12(2)13-4-6-14(7-5-13)18(21-3)10-15-8-9-16(20)11-17(15)19/h8-9,11-14,18,21H,4-7,10H2,1-3H3
InChIKeyPMSVGFNWCWNDEG-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 114347797
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
3-(2-bromo-4-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723316
2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423303
[2-(2-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233141
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 65424573) is 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine is CNC(Cc1ccc(F)cc1Br)C1CCC(C(C)C)CC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is PMSVGFNWCWNDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-12(2)13-4-6-14(7-5-13)18(21-3)10-15-8-9-16(20)11-17(15)19/h8-9,11-14,18,21H,4-7,10H2,1-3H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 356.32 g/mol, XLogP of 5.18, 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)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 65424573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).