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

C10H13F2NO — CID 130691397

IUPAC(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(F)c([C@H](N)[C@H](C)O)c1F
InChIInChI=1S/C10H13F2NO/c1-5-3-4-7(11)8(9(5)12)10(13)6(2)14/h3-4,6,10,14H,13H2,1-2H3/t6-,10+/m0/s1
InChIKeyDIXLMONEPIPQDW-QUBYGPBYSA-N
MW201.22 g/mol
LogP1.65
Rot. Bonds2

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

(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol (PubChem CID 130691397) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
PubChem CID130691397
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(F)c([C@H](N)[C@H](C)O)c1F
InChIInChI=1S/C10H13F2NO/c1-5-3-4-7(11)8(9(5)12)10(13)6(2)14/h3-4,6,10,14H,13H2,1-2H3/t6-,10+/m0/s1
InChIKeyDIXLMONEPIPQDW-QUBYGPBYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131531644
2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol
CID 130655554
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171264115
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264116
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine
CID 82823295

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol (CID 130691397) is (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol is Cc1ccc(F)c([C@H](N)[C@H](C)O)c1F.
What is the InChIKey of (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol?
The InChIKey is DIXLMONEPIPQDW-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-5-3-4-7(11)8(9(5)12)10(13)6(2)14/h3-4,6,10,14H,13H2,1-2H3/t6-,10+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol?
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 130691397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).