(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

C12H13ClFNOS — CID 171210655

IUPAC(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1cccc(F)c1[C@H](N)c1ccsc1.Cl
InChIInChI=1S/C12H12FNOS.ClH/c1-15-10-4-2-3-9(13)11(10)12(14)8-5-6-16-7-8;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1
InChIKeyYGCBLZLROFFVSW-UTONKHPSSA-N
MW273.76 g/mol
LogP3.37
Rot. Bonds3

About (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171210655) has the molecular formula C12H13ClFNOS and a molecular weight of 273.76 g/mol. Its IUPAC name is (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171210655
Molecular FormulaC12H13ClFNOS
Molecular Weight273.76 g/mol
Exact Mass273.04
IUPAC Name(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1cccc(F)c1[C@H](N)c1ccsc1.Cl
InChIInChI=1S/C12H12FNOS.ClH/c1-15-10-4-2-3-9(13)11(10)12(14)8-5-6-16-7-8;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1
InChIKeyYGCBLZLROFFVSW-UTONKHPSSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride
CID 171235945
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171205336
(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine
CID 171224684
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride
CID 171312558
(S)-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171214666
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65434580
(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
CID 171210488

Frequently Asked Questions

What is the IUPAC name of (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171210655) is (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is COc1cccc(F)c1[C@H](N)c1ccsc1.Cl.
What is the InChIKey of (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is YGCBLZLROFFVSW-UTONKHPSSA-N. The full InChI is InChI=1S/C12H12FNOS.ClH/c1-15-10-4-2-3-9(13)11(10)12(14)8-5-6-16-7-8;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171210655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).