3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline

C12H12FNOS — CID 43380610

IUPAC3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccsc2)cc1F
InChIInChI=1S/C12H12FNOS/c1-15-12-3-2-10(6-11(12)13)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3
InChIKeyIKVJFSFQVZYWRX-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.51
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline

3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43380610) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline
PubChem CID43380610
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccsc2)cc1F
InChIInChI=1S/C12H12FNOS/c1-15-12-3-2-10(6-11(12)13)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3
InChIKeyIKVJFSFQVZYWRX-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline (CID 43380610) is 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline is COc1ccc(NCc2ccsc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is IKVJFSFQVZYWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-15-12-3-2-10(6-11(12)13)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline?
3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 237.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43380610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).