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

C12H13ClFNOS — CID 171253754

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
SMILESCc1cc(F)c(O)c([C@@H](N)c2cccs2)c1.Cl
InChIInChI=1S/C12H12FNOS.ClH/c1-7-5-8(12(15)9(13)6-7)11(14)10-3-2-4-16-10;/h2-6,11,15H,14H2,1H3;1H/t11-;/m1./s1
InChIKeyLYODHJNWKXCHTB-RFVHGSKJSA-N
MW273.76 g/mol
LogP3.37
Rot. Bonds2

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

2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride (PubChem CID 171253754) has the molecular formula C12H13ClFNOS and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
PubChem CID171253754
Molecular FormulaC12H13ClFNOS
Molecular Weight273.76 g/mol
Exact Mass273.04
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
SMILESCc1cc(F)c(O)c([C@@H](N)c2cccs2)c1.Cl
InChIInChI=1S/C12H12FNOS.ClH/c1-7-5-8(12(15)9(13)6-7)11(14)10-3-2-4-16-10;/h2-6,11,15H,14H2,1H3;1H/t11-;/m1./s1
InChIKeyLYODHJNWKXCHTB-RFVHGSKJSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257098
2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
CID 131418873
3-[(R)-amino(thiophen-2-yl)methyl]-5-fluoro-4-hydroxybenzoic acid
CID 171256128
3-[(S)-amino(thiophen-2-yl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171257764
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-nitrophenol;hydrochloride
CID 171258039
2-[(S)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171259372
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396
6-[(S)-amino(thiophen-2-yl)methyl]-4-bromo-2,3-difluorophenol
CID 171257937
2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol
CID 171256027
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
3-[(S)-amino(thiophen-2-yl)methyl]-4-hydroxy-5-methylbenzoic acid;hydrochloride
CID 171258264
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride (CID 171253754) is 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride is Cc1cc(F)c(O)c([C@@H](N)c2cccs2)c1.Cl.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride?
The InChIKey is LYODHJNWKXCHTB-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H12FNOS.ClH/c1-7-5-8(12(15)9(13)6-7)11(14)10-3-2-4-16-10;/h2-6,11,15H,14H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride?
2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 3.37, 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-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride is sourced from PubChem (CID 171253754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).