1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol

C10H13ClFNO2 — CID 59761721

IUPAC1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)c(OCC(O)CN)c1F
InChIInChI=1S/C10H13ClFNO2/c1-6-2-3-8(11)10(9(6)12)15-5-7(14)4-13/h2-3,7,14H,4-5,13H2,1H3
InChIKeyGONRLODOYVOUPX-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.49
Rot. Bonds4

About 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol

1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol (PubChem CID 59761721) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
PubChem CID59761721
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)c(OCC(O)CN)c1F
InChIInChI=1S/C10H13ClFNO2/c1-6-2-3-8(11)10(9(6)12)15-5-7(14)4-13/h2-3,7,14H,4-5,13H2,1H3
InChIKeyGONRLODOYVOUPX-UHFFFAOYSA-N
XLogP1.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058
1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 16642389
2-(3-amino-2-hydroxypropoxy)-3-methylphenol
CID 143628110
1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
CID 59761773
1-chloro-3-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 146293234
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene
CID 21028359
1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
CID 66793809
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol (CID 59761721) is 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol is Cc1ccc(Cl)c(OCC(O)CN)c1F.
What is the InChIKey of 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol?
The InChIKey is GONRLODOYVOUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-6-2-3-8(11)10(9(6)12)15-5-7(14)4-13/h2-3,7,14H,4-5,13H2,1H3.
What are the key properties of 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol?
1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol has a molecular weight of 233.67 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 59761721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).