(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol

C10H14FNO — CID 106932274

IUPAC(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
SMILESCc1cc(F)cc(NC[C@@H](C)O)c1
InChIInChI=1S/C10H14FNO/c1-7-3-9(11)5-10(4-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m1/s1
InChIKeyNMBHHQLOBOXWBA-MRVPVSSYSA-N
MW183.23 g/mol
LogP1.93
Rot. Bonds3

About (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol

(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol (PubChem CID 106932274) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
PubChem CID106932274
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
SMILESCc1cc(F)cc(NC[C@@H](C)O)c1
InChIInChI=1S/C10H14FNO/c1-7-3-9(11)5-10(4-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m1/s1
InChIKeyNMBHHQLOBOXWBA-MRVPVSSYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
3-fluoro-5-(2-hydroxypropylamino)benzoic acid
CID 82539772
3-fluoro-N-(2-fluorobutyl)-5-methylaniline
CID 131160310
3-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 130631614
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol?
The IUPAC name of (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol (CID 106932274) is (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol is Cc1cc(F)cc(NC[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol?
The InChIKey is NMBHHQLOBOXWBA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-3-9(11)5-10(4-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol?
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluoro-5-methylanilino)propan-2-ol is sourced from PubChem (CID 106932274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).