2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol

C10H15NO2 — CID 55262993

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
SMILESCCc1cccc([C@H](N)CO)c1O
InChIInChI=1S/C10H15NO2/c1-2-7-4-3-5-8(10(7)13)9(11)6-12/h3-5,9,12-13H,2,6,11H2,1H3/t9-/m1/s1
InChIKeyKPSIZLPDFFCEBR-SECBINFHSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

About 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol

2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol (PubChem CID 55262993) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
PubChem CID55262993
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
SMILESCCc1cccc([C@H](N)CO)c1O
InChIInChI=1S/C10H15NO2/c1-2-7-4-3-5-8(10(7)13)9(11)6-12/h3-5,9,12-13H,2,6,11H2,1H3/t9-/m1/s1
InChIKeyKPSIZLPDFFCEBR-SECBINFHSA-N
XLogP0.95
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
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-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid
CID 66514499
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
2-[(1S)-1-aminobut-3-enyl]-6-ethylphenol;hydrochloride
CID 171253865
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-ethylphenol
CID 171253883
(2S)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetonitrile
CID 130707253
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
CID 171253853
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
2-(4-aminobutan-2-yl)-6-ethylphenol
CID 117284201

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol (CID 55262993) is 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol is CCc1cccc([C@H](N)CO)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol?
The InChIKey is KPSIZLPDFFCEBR-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-7-4-3-5-8(10(7)13)9(11)6-12/h3-5,9,12-13H,2,6,11H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol?
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol has a molecular weight of 181.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol is sourced from PubChem (CID 55262993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).