1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine

C17H26BrNO2 — CID 43118223

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
SMILESCOc1cc(Br)c(C(N)CCC2CCCCC2)cc1OC
InChIInChI=1S/C17H26BrNO2/c1-20-16-10-13(14(18)11-17(16)21-2)15(19)9-8-12-6-4-3-5-7-12/h10-12,15H,3-9,19H2,1-2H3
InChIKeyKJXXSVJBBZPGFQ-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.83
Rot. Bonds6

About 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine

1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine (PubChem CID 43118223) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
PubChem CID43118223
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
SMILESCOc1cc(Br)c(C(N)CCC2CCCCC2)cc1OC
InChIInChI=1S/C17H26BrNO2/c1-20-16-10-13(14(18)11-17(16)21-2)15(19)9-8-12-6-4-3-5-7-12/h10-12,15H,3-9,19H2,1-2H3
InChIKeyKJXXSVJBBZPGFQ-UHFFFAOYSA-N
XLogP4.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
(1R)-1-(2-bromo-4,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171198881
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561214
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine (CID 43118223) is 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine is COc1cc(Br)c(C(N)CCC2CCCCC2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine?
The InChIKey is KJXXSVJBBZPGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-20-16-10-13(14(18)11-17(16)21-2)15(19)9-8-12-6-4-3-5-7-12/h10-12,15H,3-9,19H2,1-2H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine?
1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine is sourced from PubChem (CID 43118223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).