1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol

C11H16ClNO2 — CID 59761773

IUPAC1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(Cl)c(OCC(O)CN)cc1C
InChIInChI=1S/C11H16ClNO2/c1-7-3-10(12)11(4-8(7)2)15-6-9(14)5-13/h3-4,9,14H,5-6,13H2,1-2H3
InChIKeySWSRIKHYAHXPPZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.66
Rot. Bonds4

About 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol

1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol (PubChem CID 59761773) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
PubChem CID59761773
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(Cl)c(OCC(O)CN)cc1C
InChIInChI=1S/C11H16ClNO2/c1-7-3-10(12)11(4-8(7)2)15-6-9(14)5-13/h3-4,9,14H,5-6,13H2,1-2H3
InChIKeySWSRIKHYAHXPPZ-UHFFFAOYSA-N
XLogP1.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-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

1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
CID 66793809
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide
CID 69174441
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 16642389
1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
CID 59761721
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
1-amino-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 114416438
1-amino-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 24701939
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol (CID 59761773) is 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol is Cc1cc(Cl)c(OCC(O)CN)cc1C.
What is the InChIKey of 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol?
The InChIKey is SWSRIKHYAHXPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7-3-10(12)11(4-8(7)2)15-6-9(14)5-13/h3-4,9,14H,5-6,13H2,1-2H3.
What are the key properties of 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol?
1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 59761773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).