2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol

C11H17NO3 — CID 6082

💊View drug profile → methoxamine
IUPAC2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)N)c1
InChIInChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
InChIKeyWJAJPNHVVFWKKL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.08
Rot. Bonds4

About 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol

2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol (PubChem CID 6082) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
PubChem CID6082
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)N)c1
InChIInChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
InChIKeyWJAJPNHVVFWKKL-UHFFFAOYSA-N
XLogP1.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(2,5-dimethoxyphenyl)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

Metaraminol
CID 5906
2,5-Dimethoxy-4-Methylamphetamine
CID 85875
2,5-Dimethoxy-4-iodoamphetamine
CID 1229
(+-)-2,5-Dimethoxyamphetamine
CID 62787
2,5-Dimethoxy-4-iodophenethylamine
CID 10267191
Methoxamine Hydrochloride
CID 57333099
2,5-Dimethoxy-4-methylphenethylamine
CID 135740
Desglymidodrine
CID 43260
4-Ethyl-2,5-dimethoxy-beta-phenethylamine
CID 24729233
2,5-Dimethoxyphenethylamine
CID 76632
2,5-Dimethoxy-4-ethylamphetamine
CID 27402
2,5-Dimethoxy-4-Methylamphetamine, (R)-
CID 11735949

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol (CID 6082) is 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol is COc1ccc(OC)c(C(O)C(C)N)c1.
What is the InChIKey of 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is WJAJPNHVVFWKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3.
What are the key properties of 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol?
2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 6082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).