4-methyl-3-(2-thiophen-2-ylethoxy)aniline

C13H15NOS — CID 63776205

IUPAC4-methyl-3-(2-thiophen-2-ylethoxy)aniline
SMILESCc1ccc(N)cc1OCCc1cccs1
InChIInChI=1S/C13H15NOS/c1-10-4-5-11(14)9-13(10)15-7-6-12-3-2-8-16-12/h2-5,8-9H,6-7,14H2,1H3
InChIKeyKIYHUHSDXKCJTA-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.26
Rot. Bonds4

About 4-methyl-3-(2-thiophen-2-ylethoxy)aniline

4-methyl-3-(2-thiophen-2-ylethoxy)aniline (PubChem CID 63776205) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-methyl-3-(2-thiophen-2-ylethoxy)aniline.

Molecular Properties

Compound Name4-methyl-3-(2-thiophen-2-ylethoxy)aniline
PubChem CID63776205
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-methyl-3-(2-thiophen-2-ylethoxy)aniline
SMILESCc1ccc(N)cc1OCCc1cccs1
InChIInChI=1S/C13H15NOS/c1-10-4-5-11(14)9-13(10)15-7-6-12-3-2-8-16-12/h2-5,8-9H,6-7,14H2,1H3
InChIKeyKIYHUHSDXKCJTA-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
CID 114415831
3-(3-fluoropropoxy)-4-methylaniline
CID 81107122
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
3-hexadecoxy-4-methylaniline
CID 57081496
4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 81306221
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 81278557
2-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63774428
2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63773539
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
3-(methoxymethoxy)-4-methylaniline
CID 65365143
N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63214231

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-thiophen-2-ylethoxy)aniline?
The IUPAC name of 4-methyl-3-(2-thiophen-2-ylethoxy)aniline (CID 63776205) is 4-methyl-3-(2-thiophen-2-ylethoxy)aniline.
What is the SMILES notation for 4-methyl-3-(2-thiophen-2-ylethoxy)aniline?
The canonical SMILES for 4-methyl-3-(2-thiophen-2-ylethoxy)aniline is Cc1ccc(N)cc1OCCc1cccs1.
What is the InChIKey of 4-methyl-3-(2-thiophen-2-ylethoxy)aniline?
The InChIKey is KIYHUHSDXKCJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-4-5-11(14)9-13(10)15-7-6-12-3-2-8-16-12/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 4-methyl-3-(2-thiophen-2-ylethoxy)aniline?
4-methyl-3-(2-thiophen-2-ylethoxy)aniline has a molecular weight of 233.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-thiophen-2-ylethoxy)aniline is sourced from PubChem (CID 63776205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).