2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol

C10H14FNO2 — CID 130655554

IUPAC2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol
SMILESCc1ccc(F)c(O)c1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H14FNO2/c1-5-3-4-7(11)10(14)8(5)9(12)6(2)13/h3-4,6,9,13-14H,12H2,1-2H3/t6-,9-/m1/s1
InChIKeyJFNILVYSARRBLT-HZGVNTEJSA-N
MW199.22 g/mol
LogP1.22
Rot. Bonds2

About 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol

2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol (PubChem CID 130655554) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol
PubChem CID130655554
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol
SMILESCc1ccc(F)c(O)c1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H14FNO2/c1-5-3-4-7(11)10(14)8(5)9(12)6(2)13/h3-4,6,9,13-14H,12H2,1-2H3/t6-,9-/m1/s1
InChIKeyJFNILVYSARRBLT-HZGVNTEJSA-N
XLogP1.22
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 ≤ 51.22
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

2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
CID 130059979
2-[(1R)-1-amino-2,2-difluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253538
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253539
(2S)-2-amino-2-(3-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
CID 130673937
2-[(1R)-1-amino-3-methylbutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256902
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-3-methylphenol
CID 130692924
ethyl (3S)-3-amino-2-fluoro-3-(3-fluoro-2-hydroxy-6-methylphenyl)propanoate;hydrochloride
CID 171256907
2-[(1S)-1-aminobutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253553
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
2-[(1R)-1-amino-2,2-difluoroethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253959

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol?
The IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol (CID 130655554) is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol is Cc1ccc(F)c(O)c1[C@H](N)[C@@H](C)O.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol?
The InChIKey is JFNILVYSARRBLT-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-5-3-4-7(11)10(14)8(5)9(12)6(2)13/h3-4,6,9,13-14H,12H2,1-2H3/t6-,9-/m1/s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol?
2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol has a molecular weight of 199.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol is sourced from PubChem (CID 130655554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).