2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine

C18H27BrFN — CID 79700039

IUPAC2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H27BrFN/c1-12(2)14-4-6-15(7-5-14)18(21-3)10-13-8-16(19)11-17(20)9-13/h8-9,11-12,14-15,18,21H,4-7,10H2,1-3H3
InChIKeySPBOOLBQAUJTBJ-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.18
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 79700039) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID79700039
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H27BrFN/c1-12(2)14-4-6-15(7-5-14)18(21-3)10-13-8-16(19)11-17(20)9-13/h8-9,11-12,14-15,18,21H,4-7,10H2,1-3H3
InChIKeySPBOOLBQAUJTBJ-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-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 64776459
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808
2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936078
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231693
2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 79703128
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105015421
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 79700039) is 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine is CNC(Cc1cc(F)cc(Br)c1)C1CCC(C(C)C)CC1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is SPBOOLBQAUJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-12(2)14-4-6-15(7-5-14)18(21-3)10-13-8-16(19)11-17(20)9-13/h8-9,11-12,14-15,18,21H,4-7,10H2,1-3H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 79700039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).