3-methoxy-4-(thiophen-3-ylmethoxy)aniline

C12H13NO2S — CID 62110785

IUPAC3-methoxy-4-(thiophen-3-ylmethoxy)aniline
SMILESCOc1cc(N)ccc1OCc1ccsc1
InChIInChI=1S/C12H13NO2S/c1-14-12-6-10(13)2-3-11(12)15-7-9-4-5-16-8-9/h2-6,8H,7,13H2,1H3
InChIKeyJTGRZUXORBPLSL-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.92
Rot. Bonds4

About 3-methoxy-4-(thiophen-3-ylmethoxy)aniline

3-methoxy-4-(thiophen-3-ylmethoxy)aniline (PubChem CID 62110785) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methoxy-4-(thiophen-3-ylmethoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(thiophen-3-ylmethoxy)aniline
PubChem CID62110785
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-methoxy-4-(thiophen-3-ylmethoxy)aniline
SMILESCOc1cc(N)ccc1OCc1ccsc1
InChIInChI=1S/C12H13NO2S/c1-14-12-6-10(13)2-3-11(12)15-7-9-4-5-16-8-9/h2-6,8H,7,13H2,1H3
InChIKeyJTGRZUXORBPLSL-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-phenylmethoxyaniline
CID 27226
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158
4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43527900
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
CID 60906591
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 107700478
3-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43646356
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(thiophen-3-ylmethoxy)aniline?
The IUPAC name of 3-methoxy-4-(thiophen-3-ylmethoxy)aniline (CID 62110785) is 3-methoxy-4-(thiophen-3-ylmethoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(thiophen-3-ylmethoxy)aniline?
The canonical SMILES for 3-methoxy-4-(thiophen-3-ylmethoxy)aniline is COc1cc(N)ccc1OCc1ccsc1.
What is the InChIKey of 3-methoxy-4-(thiophen-3-ylmethoxy)aniline?
The InChIKey is JTGRZUXORBPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-14-12-6-10(13)2-3-11(12)15-7-9-4-5-16-8-9/h2-6,8H,7,13H2,1H3.
What are the key properties of 3-methoxy-4-(thiophen-3-ylmethoxy)aniline?
3-methoxy-4-(thiophen-3-ylmethoxy)aniline has a molecular weight of 235.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(thiophen-3-ylmethoxy)aniline is sourced from PubChem (CID 62110785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).