3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol

C11H17NO2 — CID 131128646

IUPAC3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
SMILESCCc1ccc(O)cc1[C@H](N)C(C)O
InChIInChI=1S/C11H17NO2/c1-3-8-4-5-9(14)6-10(8)11(12)7(2)13/h4-7,11,13-14H,3,12H2,1-2H3/t7?,11-/m1/s1
InChIKeyPXFWQZQNLYVFCC-PLNQYNMKSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds3

About 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol

3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol (PubChem CID 131128646) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
PubChem CID131128646
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
SMILESCCc1ccc(O)cc1[C@H](N)C(C)O
InChIInChI=1S/C11H17NO2/c1-3-8-4-5-9(14)6-10(8)11(12)7(2)13/h4-7,11,13-14H,3,12H2,1-2H3/t7?,11-/m1/s1
InChIKeyPXFWQZQNLYVFCC-PLNQYNMKSA-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

2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
3-(1-aminoprop-2-enyl)-4-ethylphenol
CID 55282730
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
ethyl 2-amino-3-[4-hydroxy-2-(1-hydroxyethyl)phenyl]propanoate
CID 141446103
(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130632072
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol?
The IUPAC name of 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol (CID 131128646) is 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol.
What is the SMILES notation for 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol?
The canonical SMILES for 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol is CCc1ccc(O)cc1[C@H](N)C(C)O.
What is the InChIKey of 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol?
The InChIKey is PXFWQZQNLYVFCC-PLNQYNMKSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-8-4-5-9(14)6-10(8)11(12)7(2)13/h4-7,11,13-14H,3,12H2,1-2H3/t7?,11-/m1/s1.
What are the key properties of 3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol?
3-[(1S)-1-amino-2-hydroxypropyl]-4-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)-1-amino-2-hydroxypropyl]-4-ethylphenol is sourced from PubChem (CID 131128646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).