1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine

C17H26BrNO2 — CID 105056685

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
SMILESCOc1cc(C(N)CC2CCCCCC2)c(OC)cc1Br
InChIInChI=1S/C17H26BrNO2/c1-20-16-11-14(18)17(21-2)10-13(16)15(19)9-12-7-5-3-4-6-8-12/h10-12,15H,3-9,19H2,1-2H3
InChIKeyDAAUUMQKDKMVFG-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine

1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine (PubChem CID 105056685) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
PubChem CID105056685
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
SMILESCOc1cc(C(N)CC2CCCCCC2)c(OC)cc1Br
InChIInChI=1S/C17H26BrNO2/c1-20-16-11-14(18)17(21-2)10-13(16)15(19)9-12-7-5-3-4-6-8-12/h10-12,15H,3-9,19H2,1-2H3
InChIKeyDAAUUMQKDKMVFG-UHFFFAOYSA-N
XLogP4.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
CID 43118223
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine (CID 105056685) is 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine is COc1cc(C(N)CC2CCCCCC2)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine?
The InChIKey is DAAUUMQKDKMVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-20-16-11-14(18)17(21-2)10-13(16)15(19)9-12-7-5-3-4-6-8-12/h10-12,15H,3-9,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine?
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine is sourced from PubChem (CID 105056685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).