2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol

C10H13F2NO2 — CID 170893663

IUPAC2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CC(N)CO)c(F)c1F
InChIInChI=1S/C10H13F2NO2/c1-15-8-3-2-6(4-7(13)5-14)9(11)10(8)12/h2-3,7,14H,4-5,13H2,1H3
InChIKeyOYEVLXMXGRHQTG-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.84
Rot. Bonds4

About 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol

2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 170893663) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
PubChem CID170893663
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CC(N)CO)c(F)c1F
InChIInChI=1S/C10H13F2NO2/c1-15-8-3-2-6(4-7(13)5-14)9(11)10(8)12/h2-3,7,14H,4-5,13H2,1H3
InChIKeyOYEVLXMXGRHQTG-UHFFFAOYSA-N
XLogP0.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2,3-difluoro-4-methoxyphenyl)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

methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
2-amino-3-(2,3,4-trifluorophenyl)propan-1-ol;hydrochloride
CID 170892136
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
CID 170893583
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170892243
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol (CID 170893663) is 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol is COc1ccc(CC(N)CO)c(F)c1F.
What is the InChIKey of 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is OYEVLXMXGRHQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-15-8-3-2-6(4-7(13)5-14)9(11)10(8)12/h2-3,7,14H,4-5,13H2,1H3.
What are the key properties of 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol?
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 217.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 170893663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).