4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline

C13H15NOS — CID 61059321

IUPAC4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCOc1ccc(NCc2cccs2)cc1C
InChIInChI=1S/C13H15NOS/c1-10-8-11(5-6-13(10)15-2)14-9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3
InChIKeyBZDWBQOUUGSJDA-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.68
Rot. Bonds4

About 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline

4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 61059321) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID61059321
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCOc1ccc(NCc2cccs2)cc1C
InChIInChI=1S/C13H15NOS/c1-10-8-11(5-6-13(10)15-2)14-9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3
InChIKeyBZDWBQOUUGSJDA-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
CID 61059640
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 60932472
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
4-ethoxy-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 115587236
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
CID 115331566
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline (CID 61059321) is 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline is COc1ccc(NCc2cccs2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is BZDWBQOUUGSJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-8-11(5-6-13(10)15-2)14-9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline?
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 233.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 61059321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).