1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine

C17H26BrNO2 — CID 63509267

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cc(OC)c(OC)cc1Br)C1CCCCCC1
InChIInChI=1S/C17H26BrNO2/c1-19-17(12-8-6-4-5-7-9-12)13-10-15(20-2)16(21-3)11-14(13)18/h10-12,17,19H,4-9H2,1-3H3
InChIKeyGUJAUPITPJEBLJ-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.70
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine (PubChem CID 63509267) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
PubChem CID63509267
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cc(OC)c(OC)cc1Br)C1CCCCCC1
InChIInChI=1S/C17H26BrNO2/c1-19-17(12-8-6-4-5-7-9-12)13-10-15(20-2)16(21-3)11-14(13)18/h10-12,17,19H,4-9H2,1-3H3
InChIKeyGUJAUPITPJEBLJ-UHFFFAOYSA-N
XLogP4.70
TPSA30.49 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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-bromo-2,5-dimethoxyphenyl)-N-methylmethanamine
CID 105056754
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
1-cycloheptyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065977
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine (CID 63509267) is 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine is CNC(c1cc(OC)c(OC)cc1Br)C1CCCCCC1.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine?
The InChIKey is GUJAUPITPJEBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-19-17(12-8-6-4-5-7-9-12)13-10-15(20-2)16(21-3)11-14(13)18/h10-12,17,19H,4-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.70, 5 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)-1-cycloheptyl-N-methylmethanamine is sourced from PubChem (CID 63509267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).