3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine

C11H16BrNO2 — CID 83477684

IUPAC3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(CCCN)cc(Br)c1OC
InChIInChI=1S/C11H16BrNO2/c1-14-10-7-8(4-3-5-13)6-9(12)11(10)15-2/h6-7H,3-5,13H2,1-2H3
InChIKeyYKMITRFFWOUFKR-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.36
Rot. Bonds5

About 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine

3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine (PubChem CID 83477684) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
PubChem CID83477684
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(CCCN)cc(Br)c1OC
InChIInChI=1S/C11H16BrNO2/c1-14-10-7-8(4-3-5-13)6-9(12)11(10)15-2/h6-7H,3-5,13H2,1-2H3
InChIKeyYKMITRFFWOUFKR-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine 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

3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine
CID 117398523
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
4-(3-bromo-4-methoxy-5-methylphenyl)butan-1-amine
CID 117433058
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058
7-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]heptanamide
CID 119764855
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
(3-bromo-4,5-dimethoxyphenyl)methanesulfonamide
CID 165443466
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butan-1-amine
CID 117391930
1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
CID 20811639
2-(3-bromo-4,5-dimethoxyphenyl)acetaldehyde
CID 59259548
2-(3-bromo-4,5-dimethoxyphenyl)acetonitrile
CID 54857282

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine (CID 83477684) is 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine is COc1cc(CCCN)cc(Br)c1OC.
What is the InChIKey of 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine?
The InChIKey is YKMITRFFWOUFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-14-10-7-8(4-3-5-13)6-9(12)11(10)15-2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine?
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine has a molecular weight of 274.16 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83477684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).