4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride

C12H14ClNO2S — CID 171203101

IUPAC4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)c2cccs2)ccc1O.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-10-7-8(4-5-9(10)14)12(13)11-3-2-6-16-11;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1
InChIKeyWGTGZBIXQZXHEH-YDALLXLXSA-N
MW271.77 g/mol
LogP2.93
Rot. Bonds3

About 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride

4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride (PubChem CID 171203101) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
PubChem CID171203101
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)c2cccs2)ccc1O.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-15-10-7-8(4-5-9(10)14)12(13)11-3-2-6-16-11;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1
InChIKeyWGTGZBIXQZXHEH-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

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Related Compounds

(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 171221826
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171214723
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
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

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride (CID 171203101) is 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride is COc1cc([C@H](N)c2cccs2)ccc1O.Cl.
What is the InChIKey of 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is WGTGZBIXQZXHEH-YDALLXLXSA-N. The full InChI is InChI=1S/C12H13NO2S.ClH/c1-15-10-7-8(4-5-9(10)14)12(13)11-3-2-6-16-11;/h2-7,12,14H,13H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride?
4-[(S)-amino(thiophen-2-yl)methyl]-2-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 4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 171203101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).