2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline

C13H15NO2S — CID 54967007

IUPAC2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline
SMILESCOc1ccc(COCc2cccs2)cc1N
InChIInChI=1S/C13H15NO2S/c1-15-13-5-4-10(7-12(13)14)8-16-9-11-3-2-6-17-11/h2-7H,8-9,14H2,1H3
InChIKeyCUJQQWHILGEWFP-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.06
Rot. Bonds5

About 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline

2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline (PubChem CID 54967007) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline
PubChem CID54967007
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline
SMILESCOc1ccc(COCc2cccs2)cc1N
InChIInChI=1S/C13H15NO2S/c1-15-13-5-4-10(7-12(13)14)8-16-9-11-3-2-6-17-11/h2-7H,8-9,14H2,1H3
InChIKeyCUJQQWHILGEWFP-UHFFFAOYSA-N
XLogP3.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline
CID 82828566
2-nitro-4-(thiophen-2-ylmethoxymethyl)aniline
CID 62187478
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone
CID 62032194
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
2-methoxy-5-(4,4,4-trifluorobutoxymethyl)aniline
CID 82788543
3-(thiophen-2-ylmethoxymethyl)benzenecarbothioamide
CID 54966964
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
2-(ethoxymethyl)thiophene
CID 12699283

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline?
The IUPAC name of 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline (CID 54967007) is 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline.
What is the SMILES notation for 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline?
The canonical SMILES for 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline is COc1ccc(COCc2cccs2)cc1N.
What is the InChIKey of 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline?
The InChIKey is CUJQQWHILGEWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-15-13-5-4-10(7-12(13)14)8-16-9-11-3-2-6-17-11/h2-7H,8-9,14H2,1H3.
What are the key properties of 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline?
2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline has a molecular weight of 249.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline is sourced from PubChem (CID 54967007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).