2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol

C10H14FNO2 — CID 130700380

IUPAC2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c([C@@](C)(N)CO)c1O
InChIInChI=1S/C10H14FNO2/c1-6-3-4-7(11)8(9(6)14)10(2,12)5-13/h3-4,13-14H,5,12H2,1-2H3/t10-/m0/s1
InChIKeySCHJXCKYYCAMIU-JTQLQIEISA-N
MW199.22 g/mol
LogP1.01
Rot. Bonds2

About 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol

2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol (PubChem CID 130700380) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol
PubChem CID130700380
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c([C@@](C)(N)CO)c1O
InChIInChI=1S/C10H14FNO2/c1-6-3-4-7(11)8(9(6)14)10(2,12)5-13/h3-4,13-14H,5,12H2,1-2H3/t10-/m0/s1
InChIKeySCHJXCKYYCAMIU-JTQLQIEISA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
CID 117284763
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
2-amino-3-fluoro-6-methylphenol
CID 131278270
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253555
1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 82819317
(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol
CID 130690674
2-[(1R)-1-amino-2,2-dimethylpropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257323
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol
CID 84668827

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol?
The IUPAC name of 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol (CID 130700380) is 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol.
What is the SMILES notation for 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol?
The canonical SMILES for 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol is Cc1ccc(F)c([C@@](C)(N)CO)c1O.
What is the InChIKey of 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol?
The InChIKey is SCHJXCKYYCAMIU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6-3-4-7(11)8(9(6)14)10(2,12)5-13/h3-4,13-14H,5,12H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol?
2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol has a molecular weight of 199.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol is sourced from PubChem (CID 130700380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).