2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride

C12H14ClNO2S — CID 171220205

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@@H](N)c2cccs2)c(O)c1.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-8-4-5-9(10(14)7-8)12(13)11-3-2-6-16-11;/h2-7,12,14H,13H2,1H3;1H/t12-;/m1./s1
InChIKeyAYKSARWGPGFLHZ-UTONKHPSSA-N
MW271.77 g/mol
LogP2.93
Rot. Bonds3

About 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride

2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride (PubChem CID 171220205) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
PubChem CID171220205
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@@H](N)c2cccs2)c(O)c1.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-8-4-5-9(10(14)7-8)12(13)11-3-2-6-16-11;/h2-7,12,14H,13H2,1H3;1H/t12-;/m1./s1
InChIKeyAYKSARWGPGFLHZ-UTONKHPSSA-N
XLogP2.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.93
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

(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171203101
2-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232515
2-[(S)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171259372
2-[(S)-amino(thiophen-2-yl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210148
2-[(1S)-1-amino-2,2-dimethylpropyl]-5-methoxyphenol;hydrochloride
CID 171239815
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149529
2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol
CID 171256027
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol;hydrochloride
CID 171239810

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride (CID 171220205) is 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride is COc1ccc([C@@H](N)c2cccs2)c(O)c1.Cl.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride?
The InChIKey is AYKSARWGPGFLHZ-UTONKHPSSA-N. The full InChI is InChI=1S/C12H13NO2S.ClH/c1-15-8-4-5-9(10(14)7-8)12(13)11-3-2-6-16-11;/h2-7,12,14H,13H2,1H3;1H/t12-;/m1./s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride?
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 2.93, 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]-5-methoxyphenol;hydrochloride is sourced from PubChem (CID 171220205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).