2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol

C12H12FNOS — CID 171224998

IUPAC2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc([C@@H](N)c2ccsc2)c1O
InChIInChI=1S/C12H12FNOS/c1-7-4-9(13)5-10(12(7)15)11(14)8-2-3-16-6-8/h2-6,11,15H,14H2,1H3/t11-/m0/s1
InChIKeyYVUWPDIJVASJJK-NSHDSACASA-N
MW237.30 g/mol
LogP2.95
Rot. Bonds2

About 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol

2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol (PubChem CID 171224998) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol
PubChem CID171224998
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc([C@@H](N)c2ccsc2)c1O
InChIInChI=1S/C12H12FNOS/c1-7-4-9(13)5-10(12(7)15)11(14)8-2-3-16-6-8/h2-6,11,15H,14H2,1H3/t11-/m0/s1
InChIKeyYVUWPDIJVASJJK-NSHDSACASA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.95
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-3-yl)methyl]-4-chloro-6-methylphenol;hydrochloride
CID 171215002
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
2-[(S)-amino(thiophen-3-yl)methyl]-4-methylphenol
CID 171202323
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine
CID 171204987
2-[(S)-amino(thiophen-3-yl)methyl]-4,6-diiodophenol
CID 171215887
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171204988
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171232778
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
CID 171217231
3-[(R)-amino(thiophen-3-yl)methyl]benzene-1,2-diol
CID 171220543

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol?
The IUPAC name of 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol (CID 171224998) is 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol?
The canonical SMILES for 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol is Cc1cc(F)cc([C@@H](N)c2ccsc2)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol?
The InChIKey is YVUWPDIJVASJJK-NSHDSACASA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7-4-9(13)5-10(12(7)15)11(14)8-2-3-16-6-8/h2-6,11,15H,14H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol?
2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol has a molecular weight of 237.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol is sourced from PubChem (CID 171224998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).