(4-bromo-2,6-dimethoxyphenyl)methanamine

C9H12BrNO2 — CID 130139852

IUPAC(4-bromo-2,6-dimethoxyphenyl)methanamine
SMILESCOc1cc(Br)cc(OC)c1CN
InChIInChI=1S/C9H12BrNO2/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4H,5,11H2,1-2H3
InChIKeyWQVZDOGNUNPCGN-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.92
Rot. Bonds3

About (4-bromo-2,6-dimethoxyphenyl)methanamine

(4-bromo-2,6-dimethoxyphenyl)methanamine (PubChem CID 130139852) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (4-bromo-2,6-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-dimethoxyphenyl)methanamine
PubChem CID130139852
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(4-bromo-2,6-dimethoxyphenyl)methanamine
SMILESCOc1cc(Br)cc(OC)c1CN
InChIInChI=1S/C9H12BrNO2/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4H,5,11H2,1-2H3
InChIKeyWQVZDOGNUNPCGN-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2,6-dimethoxyphenyl)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

(4-bromo-2-iodo-6-methoxyphenyl)methanamine
CID 171018102
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 119098888
[4-(aminomethyl)-3,5-dimethoxyphenoxy]boronic acid
CID 174501310
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
4-(aminomethyl)-3-bromo-5-methoxybenzonitrile
CID 171014130
(5-bromo-7-methoxy-1H-indol-2-yl)methanamine
CID 83901061
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
(2-bromo-6-methoxy-4-nitrophenyl)methanamine
CID 171019721
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
CID 117465285

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-dimethoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-dimethoxyphenyl)methanamine (CID 130139852) is (4-bromo-2,6-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-dimethoxyphenyl)methanamine is COc1cc(Br)cc(OC)c1CN.
What is the InChIKey of (4-bromo-2,6-dimethoxyphenyl)methanamine?
The InChIKey is WQVZDOGNUNPCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4H,5,11H2,1-2H3.
What are the key properties of (4-bromo-2,6-dimethoxyphenyl)methanamine?
(4-bromo-2,6-dimethoxyphenyl)methanamine has a molecular weight of 246.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethoxyphenyl)methanamine is sourced from PubChem (CID 130139852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).