2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol

C13H15NOS — CID 131474348

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol
SMILESCCc1cccc([C@@H](N)c2cccs2)c1O
InChIInChI=1S/C13H15NOS/c1-2-9-5-3-6-10(13(9)15)12(14)11-7-4-8-16-11/h3-8,12,15H,2,14H2,1H3/t12-/m1/s1
InChIKeyNBPNRNPYOJEDSI-GFCCVEGCSA-N
MW233.34 g/mol
LogP3.06
Rot. Bonds3

About 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol

2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol (PubChem CID 131474348) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol
PubChem CID131474348
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol
SMILESCCc1cccc([C@@H](N)c2cccs2)c1O
InChIInChI=1S/C13H15NOS/c1-2-9-5-3-6-10(13(9)15)12(14)11-7-4-8-16-11/h3-8,12,15H,2,14H2,1H3/t12-/m1/s1
InChIKeyNBPNRNPYOJEDSI-GFCCVEGCSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino(thiophen-2-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216033
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
3-[(S)-amino(thiophen-2-yl)methyl]-2-hydroxybenzonitrile;hydrochloride
CID 171259250
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
(2S)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetonitrile
CID 130707253
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-ethylphenol
CID 171253883
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
CID 171253853
3-[(S)-amino(thiophen-2-yl)methyl]-4-hydroxy-5-methylbenzoic acid;hydrochloride
CID 171258264
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
2-(4-aminobutan-2-yl)-6-ethylphenol
CID 117284201

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol (CID 131474348) is 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol is CCc1cccc([C@@H](N)c2cccs2)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol?
The InChIKey is NBPNRNPYOJEDSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-9-5-3-6-10(13(9)15)12(14)11-7-4-8-16-11/h3-8,12,15H,2,14H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol?
2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol has a molecular weight of 233.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol is sourced from PubChem (CID 131474348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).