(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol

C11H16FNO — CID 55270630

IUPAC(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol
SMILESCCc1c(F)cccc1[C@@H](N)[C@H](C)O
InChIInChI=1S/C11H16FNO/c1-3-8-9(11(13)7(2)14)5-4-6-10(8)12/h4-7,11,14H,3,13H2,1-2H3/t7-,11-/m0/s1
InChIKeyDVOIEVLRTCDFFX-CPCISQLKSA-N
MW197.25 g/mol
LogP1.77
Rot. Bonds3

About (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol

(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol (PubChem CID 55270630) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol
PubChem CID55270630
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol
SMILESCCc1c(F)cccc1[C@@H](N)[C@H](C)O
InChIInChI=1S/C11H16FNO/c1-3-8-9(11(13)7(2)14)5-4-6-10(8)12/h4-7,11,14H,3,13H2,1-2H3/t7-,11-/m0/s1
InChIKeyDVOIEVLRTCDFFX-CPCISQLKSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130657386
3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
CID 55269125
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
CID 84669941
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol (CID 55270630) is (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol is CCc1c(F)cccc1[C@@H](N)[C@H](C)O.
What is the InChIKey of (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol?
The InChIKey is DVOIEVLRTCDFFX-CPCISQLKSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-8-9(11(13)7(2)14)5-4-6-10(8)12/h4-7,11,14H,3,13H2,1-2H3/t7-,11-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol?
(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 55270630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).