(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine

C10H14BrNO2 — CID 84710081

IUPAC(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)c(CN)c1OC
InChIInChI=1S/C10H14BrNO2/c1-6-4-8(13-2)10(14-3)7(5-12)9(6)11/h4H,5,12H2,1-3H3
InChIKeyWOGUWMGPBFNEQC-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.23
Rot. Bonds3

About (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine

(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine (PubChem CID 84710081) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
PubChem CID84710081
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)c(CN)c1OC
InChIInChI=1S/C10H14BrNO2/c1-6-4-8(13-2)10(14-3)7(5-12)9(6)11/h4H,5,12H2,1-3H3
InChIKeyWOGUWMGPBFNEQC-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
(E)-3-(2-bromo-5,6-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460759
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
4-(2-bromo-6-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 117461392
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
(E)-3-(2-bromo-3,6-dimethoxy-4-methylphenyl)prop-2-en-1-amine
CID 117460751
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine?
The IUPAC name of (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine (CID 84710081) is (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine is COc1cc(C)c(Br)c(CN)c1OC.
What is the InChIKey of (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine?
The InChIKey is WOGUWMGPBFNEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6-4-8(13-2)10(14-3)7(5-12)9(6)11/h4H,5,12H2,1-3H3.
What are the key properties of (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine?
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine has a molecular weight of 260.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 84710081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).