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

C12H12FNOS — CID 43474185

IUPAC(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1ccc(C(N)c2ccsc2)cc1F
InChIInChI=1S/C12H12FNOS/c1-15-11-3-2-8(6-10(11)13)12(14)9-4-5-16-7-9/h2-7,12H,14H2,1H3
InChIKeyUEETZBYQKZWXQY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.94
Rot. Bonds3

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

(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 43474185) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID43474185
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1ccc(C(N)c2ccsc2)cc1F
InChIInChI=1S/C12H12FNOS/c1-15-11-3-2-8(6-10(11)13)12(14)9-4-5-16-7-9/h2-7,12H,14H2,1H3
InChIKeyUEETZBYQKZWXQY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine (CID 43474185) is (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine is COc1ccc(C(N)c2ccsc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is UEETZBYQKZWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-15-11-3-2-8(6-10(11)13)12(14)9-4-5-16-7-9/h2-7,12H,14H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine?
(3-fluoro-4-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 (3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 43474185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).