2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride

C12H14ClNO2S — CID 171235945

IUPAC2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cccc(O)c1[C@@H](N)c1ccsc1.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-10-4-2-3-9(14)11(10)12(13)8-5-6-16-7-8;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1
InChIKeyOIPMQOHBFHHPEH-YDALLXLXSA-N
MW271.77 g/mol
LogP2.93
Rot. Bonds3

About 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride

2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride (PubChem CID 171235945) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride
PubChem CID171235945
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cccc(O)c1[C@@H](N)c1ccsc1.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-10-4-2-3-9(14)11(10)12(13)8-5-6-16-7-8;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1
InChIKeyOIPMQOHBFHHPEH-YDALLXLXSA-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-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
2-[(S)-amino(thiophen-3-yl)methyl]benzene-1,3,5-triol;hydrochloride
CID 171217050
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
2-[(S)-amino(thiophen-3-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216035
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
2-[(R)-amino(thiophen-3-yl)methyl]-4-methoxyphenol;hydrochloride
CID 171222266
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methoxyphenol
CID 171251792
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
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]-3-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride (CID 171235945) is 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride is COc1cccc(O)c1[C@@H](N)c1ccsc1.Cl.
What is the InChIKey of 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride?
The InChIKey is OIPMQOHBFHHPEH-YDALLXLXSA-N. The full InChI is InChI=1S/C12H13NO2S.ClH/c1-15-10-4-2-3-9(14)11(10)12(13)8-5-6-16-7-8;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride?
2-[(R)-amino(thiophen-3-yl)methyl]-3-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-3-yl)methyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171235945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).