1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol

C10H13F2NO — CID 82819317

IUPAC1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(F)c(C(C)(O)CN)c1F
InChIInChI=1S/C10H13F2NO/c1-6-3-4-7(11)8(9(6)12)10(2,14)5-13/h3-4,14H,5,13H2,1-2H3
InChIKeyYWGFMMSDNJRWFR-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.44
Rot. Bonds2

About 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol

1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol (PubChem CID 82819317) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
PubChem CID82819317
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(F)c(C(C)(O)CN)c1F
InChIInChI=1S/C10H13F2NO/c1-6-3-4-7(11)8(9(6)12)10(2,14)5-13/h3-4,14H,5,13H2,1-2H3
InChIKeyYWGFMMSDNJRWFR-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol (CID 82819317) is 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol is Cc1ccc(F)c(C(C)(O)CN)c1F.
What is the InChIKey of 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol?
The InChIKey is YWGFMMSDNJRWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6-3-4-7(11)8(9(6)12)10(2,14)5-13/h3-4,14H,5,13H2,1-2H3.
What are the key properties of 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol?
1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 82819317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).