(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

C12H13ClFNOS — CID 171200089

IUPAC(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2cccs2)c(F)c1.Cl
InChIInChI=1S/C12H12FNOS.ClH/c1-15-8-4-5-9(10(13)7-8)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyIYEMXHKZNUTATF-YDALLXLXSA-N
MW273.76 g/mol
LogP3.37
Rot. Bonds3

About (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171200089) has the molecular formula C12H13ClFNOS and a molecular weight of 273.76 g/mol. Its IUPAC name is (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171200089
Molecular FormulaC12H13ClFNOS
Molecular Weight273.76 g/mol
Exact Mass273.04
IUPAC Name(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2cccs2)c(F)c1.Cl
InChIInChI=1S/C12H12FNOS.ClH/c1-15-8-4-5-9(10(13)7-8)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyIYEMXHKZNUTATF-YDALLXLXSA-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-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474

Frequently Asked Questions

What is the IUPAC name of (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171200089) is (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is COc1ccc([C@H](N)c2cccs2)c(F)c1.Cl.
What is the InChIKey of (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is IYEMXHKZNUTATF-YDALLXLXSA-N. The full InChI is InChI=1S/C12H12FNOS.ClH/c1-15-8-4-5-9(10(13)7-8)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-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-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171200089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).