1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine

C17H26BrNO2 — CID 103524175

IUPAC1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C17H26BrNO2/c1-19-11-12-7-5-4-6-8-13(12)14-9-10-15(20-2)16(18)17(14)21-3/h9-10,12-13,19H,4-8,11H2,1-3H3
InChIKeyRPGROKFGBKAMNP-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.35
Rot. Bonds5

About 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine

1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine (PubChem CID 103524175) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
PubChem CID103524175
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C17H26BrNO2/c1-19-11-12-7-5-4-6-8-13(12)14-9-10-15(20-2)16(18)17(14)21-3/h9-10,12-13,19H,4-8,11H2,1-3H3
InChIKeyRPGROKFGBKAMNP-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
CID 103523805
1-(3-bromo-2,4-dimethoxyphenyl)-2-chlorocycloheptane
CID 103523791
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809
1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 82811219
1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027952
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558377
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine (CID 103524175) is 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine?
The InChIKey is RPGROKFGBKAMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-19-11-12-7-5-4-6-8-13(12)14-9-10-15(20-2)16(18)17(14)21-3/h9-10,12-13,19H,4-8,11H2,1-3H3.
What are the key properties of 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine?
1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 103524175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).