(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine

C12H12FNOS — CID 171205336

IUPAC(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(F)ccc1[C@H](N)c1ccsc1
InChIInChI=1S/C12H12FNOS/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-7,12H,14H2,1H3/t12-/m1/s1
InChIKeyFZUZCGOIGIREJV-GFCCVEGCSA-N
MW237.30 g/mol
LogP2.94
Rot. Bonds3

About (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine

(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 171205336) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID171205336
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(F)ccc1[C@H](N)c1ccsc1
InChIInChI=1S/C12H12FNOS/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-7,12H,14H2,1H3/t12-/m1/s1
InChIKeyFZUZCGOIGIREJV-GFCCVEGCSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
(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
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine (CID 171205336) is (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine is COc1cc(F)ccc1[C@H](N)c1ccsc1.
What is the InChIKey of (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is FZUZCGOIGIREJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-7,12H,14H2,1H3/t12-/m1/s1.
What are the key properties of (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine?
(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171205336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).