2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine

C16H23BrClNO — CID 116767463

IUPAC2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Br)cc2Cl)CCCC(C)C1
InChIInChI=1S/C16H23BrClNO/c1-11-4-3-7-16(10-11,20-2)15(19)8-12-5-6-13(17)9-14(12)18/h5-6,9,11,15H,3-4,7-8,10,19H2,1-2H3
InChIKeyZRTKMUFZEFKMLZ-UHFFFAOYSA-N
MW360.72 g/mol
LogP4.57
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine (PubChem CID 116767463) has the molecular formula C16H23BrClNO and a molecular weight of 360.72 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
PubChem CID116767463
Molecular FormulaC16H23BrClNO
Molecular Weight360.72 g/mol
Exact Mass359.07
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Br)cc2Cl)CCCC(C)C1
InChIInChI=1S/C16H23BrClNO/c1-11-4-3-7-16(10-11,20-2)15(19)8-12-5-6-13(17)9-14(12)18/h5-6,9,11,15H,3-4,7-8,10,19H2,1-2H3
InChIKeyZRTKMUFZEFKMLZ-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767627

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine (CID 116767463) is 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine is COC1(C(N)Cc2ccc(Br)cc2Cl)CCCC(C)C1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The InChIKey is ZRTKMUFZEFKMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO/c1-11-4-3-7-16(10-11,20-2)15(19)8-12-5-6-13(17)9-14(12)18/h5-6,9,11,15H,3-4,7-8,10,19H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine has a molecular weight of 360.72 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116767463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).