4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol

C12H13NO2S — CID 171220300

IUPAC4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1[C@@H](N)c1ccsc1
InChIInChI=1S/C12H13NO2S/c1-15-11-6-9(14)2-3-10(11)12(13)8-4-5-16-7-8/h2-7,12,14H,13H2,1H3/t12-/m0/s1
InChIKeyFHPXWACXGTVGBL-LBPRGKRZSA-N
MW235.31 g/mol
LogP2.51
Rot. Bonds3

About 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol

4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol (PubChem CID 171220300) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
PubChem CID171220300
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1[C@@H](N)c1ccsc1
InChIInChI=1S/C12H13NO2S/c1-15-11-6-9(14)2-3-10(11)12(13)8-4-5-16-7-8/h2-7,12,14H,13H2,1H3/t12-/m0/s1
InChIKeyFHPXWACXGTVGBL-LBPRGKRZSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171205336
(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171236225
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
2-[(R)-amino(thiophen-3-yl)methyl]-4-methoxyphenol;hydrochloride
CID 171222266
2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride
CID 171235945
2-[(R)-amino(thiophen-3-yl)methyl]-6-methoxy-4-nitrophenol;hydrochloride
CID 171236006
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol?
The IUPAC name of 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol (CID 171220300) is 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol.
What is the SMILES notation for 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol?
The canonical SMILES for 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol is COc1cc(O)ccc1[C@@H](N)c1ccsc1.
What is the InChIKey of 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol?
The InChIKey is FHPXWACXGTVGBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-15-11-6-9(14)2-3-10(11)12(13)8-4-5-16-7-8/h2-7,12,14H,13H2,1H3/t12-/m0/s1.
What are the key properties of 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol?
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol has a molecular weight of 235.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol is sourced from PubChem (CID 171220300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).