3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol

C11H17NO2 — CID 55269125

IUPAC3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
SMILESCCc1c(O)cccc1[C@H](N)[C@H](C)O
InChIInChI=1S/C11H17NO2/c1-3-8-9(11(12)7(2)13)5-4-6-10(8)14/h4-7,11,13-14H,3,12H2,1-2H3/t7-,11+/m0/s1
InChIKeyUIXWWBJHYSWOJE-WRWORJQWSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds3

About 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol

3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol (PubChem CID 55269125) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol.

Molecular Properties

Compound Name3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
PubChem CID55269125
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
SMILESCCc1c(O)cccc1[C@H](N)[C@H](C)O
InChIInChI=1S/C11H17NO2/c1-3-8-9(11(12)7(2)13)5-4-6-10(8)14/h4-7,11,13-14H,3,12H2,1-2H3/t7-,11+/m0/s1
InChIKeyUIXWWBJHYSWOJE-WRWORJQWSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol
CID 55270630
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014
(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130657386
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
(1S,2S)-1-amino-1-(2,3-diaminophenyl)propan-2-ol
CID 55294728
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol?
The IUPAC name of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol (CID 55269125) is 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol.
What is the SMILES notation for 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol?
The canonical SMILES for 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol is CCc1c(O)cccc1[C@H](N)[C@H](C)O.
What is the InChIKey of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol?
The InChIKey is UIXWWBJHYSWOJE-WRWORJQWSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-8-9(11(12)7(2)13)5-4-6-10(8)14/h4-7,11,13-14H,3,12H2,1-2H3/t7-,11+/m0/s1.
What are the key properties of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol?
3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol is sourced from PubChem (CID 55269125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).