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

C12H12FNO2S — CID 171256027

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc([C@@H](N)c2cccs2)c1O
InChIInChI=1S/C12H12FNO2S/c1-16-9-6-7(13)5-8(12(9)15)11(14)10-3-2-4-17-10/h2-6,11,15H,14H2,1H3/t11-/m1/s1
InChIKeyGDDLZHGQBYVMTH-LLVKDONJSA-N
MW253.30 g/mol
LogP2.65
Rot. Bonds3

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

2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol (PubChem CID 171256027) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol
PubChem CID171256027
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc([C@@H](N)c2cccs2)c1O
InChIInChI=1S/C12H12FNO2S/c1-16-9-6-7(13)5-8(12(9)15)11(14)10-3-2-4-17-10/h2-6,11,15H,14H2,1H3/t11-/m1/s1
InChIKeyGDDLZHGQBYVMTH-LLVKDONJSA-N
XLogP2.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171259372
2-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232515
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
2-[(S)-amino(thiophen-2-yl)methyl]-4-fluoro-6-nitrophenol
CID 171258822
2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253754
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257098
2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
CID 131154819
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
6-[(S)-amino(thiophen-2-yl)methyl]-4-bromo-2,3-difluorophenol
CID 171257937
2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
CID 131418873
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol (CID 171256027) is 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol is COc1cc(F)cc([C@@H](N)c2cccs2)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol?
The InChIKey is GDDLZHGQBYVMTH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-16-9-6-7(13)5-8(12(9)15)11(14)10-3-2-4-17-10/h2-6,11,15H,14H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol?
2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol has a molecular weight of 253.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 171256027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).