3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol

C12H18BrNO2 — CID 84814417

IUPAC3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(O)CCN)c(C)c1Br
InChIInChI=1S/C12H18BrNO2/c1-7-6-9(10(15)4-5-14)8(2)11(13)12(7)16-3/h6,10,15H,4-5,14H2,1-3H3
InChIKeyMLRAQNIESYMLQQ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.46
Rot. Bonds4

About 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol

3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol (PubChem CID 84814417) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
PubChem CID84814417
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(O)CCN)c(C)c1Br
InChIInChI=1S/C12H18BrNO2/c1-7-6-9(10(15)4-5-14)8(2)11(13)12(7)16-3/h6,10,15H,4-5,14H2,1-3H3
InChIKeyMLRAQNIESYMLQQ-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol 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-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84810969
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
6-(1-amino-2-hydroxyethyl)-2-bromo-3-methoxy-4-methylphenol
CID 84810918
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol (CID 84814417) is 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol is COc1c(C)cc(C(O)CCN)c(C)c1Br.
What is the InChIKey of 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol?
The InChIKey is MLRAQNIESYMLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-7-6-9(10(15)4-5-14)8(2)11(13)12(7)16-3/h6,10,15H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol?
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 84814417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).