4-(2-methoxyphenyl)sulfanyl-2-methylaniline

C14H15NOS — CID 61298004

IUPAC4-(2-methoxyphenyl)sulfanyl-2-methylaniline
SMILESCOc1ccccc1Sc1ccc(N)c(C)c1
InChIInChI=1S/C14H15NOS/c1-10-9-11(7-8-12(10)15)17-14-6-4-3-5-13(14)16-2/h3-9H,15H2,1-2H3
InChIKeySEJWYHYCKRTVPN-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.74
Rot. Bonds3

About 4-(2-methoxyphenyl)sulfanyl-2-methylaniline

4-(2-methoxyphenyl)sulfanyl-2-methylaniline (PubChem CID 61298004) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)sulfanyl-2-methylaniline.

Molecular Properties

Compound Name4-(2-methoxyphenyl)sulfanyl-2-methylaniline
PubChem CID61298004
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(2-methoxyphenyl)sulfanyl-2-methylaniline
SMILESCOc1ccccc1Sc1ccc(N)c(C)c1
InChIInChI=1S/C14H15NOS/c1-10-9-11(7-8-12(10)15)17-14-6-4-3-5-13(14)16-2/h3-9H,15H2,1-2H3
InChIKeySEJWYHYCKRTVPN-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyphenyl)sulfanyl-2-methylaniline 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

1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 104613424
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 61296725
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
CID 142809517
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
3-[2-amino-4-(2-methoxyphenyl)sulfanylanilino]-5,5-dimethylcyclohex-2-en-1-one
CID 11089930
3-fluoro-5-(2-methoxyphenyl)sulfanylaniline
CID 61298176
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
CID 43436438
2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107279854
3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline
CID 55085835
1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
CID 61290166
2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)sulfanyl-2-methylaniline?
The IUPAC name of 4-(2-methoxyphenyl)sulfanyl-2-methylaniline (CID 61298004) is 4-(2-methoxyphenyl)sulfanyl-2-methylaniline.
What is the SMILES notation for 4-(2-methoxyphenyl)sulfanyl-2-methylaniline?
The canonical SMILES for 4-(2-methoxyphenyl)sulfanyl-2-methylaniline is COc1ccccc1Sc1ccc(N)c(C)c1.
What is the InChIKey of 4-(2-methoxyphenyl)sulfanyl-2-methylaniline?
The InChIKey is SEJWYHYCKRTVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-9-11(7-8-12(10)15)17-14-6-4-3-5-13(14)16-2/h3-9H,15H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)sulfanyl-2-methylaniline?
4-(2-methoxyphenyl)sulfanyl-2-methylaniline has a molecular weight of 245.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)sulfanyl-2-methylaniline is sourced from PubChem (CID 61298004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).