2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline

C10H14FNO2S — CID 139575699

IUPAC2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline
SMILESCNc1c(SC)cc(OC)c(OC)c1F
InChIInChI=1S/C10H14FNO2S/c1-12-9-7(15-4)5-6(13-2)10(14-3)8(9)11/h5,12H,1-4H3
InChIKeyHLUOAFNOZLAQBA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.61
Rot. Bonds4

About 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline

2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline (PubChem CID 139575699) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline.

Molecular Properties

Compound Name2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline
PubChem CID139575699
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline
SMILESCNc1c(SC)cc(OC)c(OC)c1F
InChIInChI=1S/C10H14FNO2S/c1-12-9-7(15-4)5-6(13-2)10(14-3)8(9)11/h5,12H,1-4H3
InChIKeyHLUOAFNOZLAQBA-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline 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

5,6-Dimethoxybenzo [d]thiazole-2(3h)-thione
CID 7059203
5,6-dimethoxybenzo[d]thiazol-2(3H)-one
CID 20522285
6,7-Dimethoxy-2h-1,4-benzothiazin-3(4h)-one
CID 23342014
5-(2-Fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine
CID 145181360
4,5-Dimethoxy-2-(methylthio)aniline
CID 608034
5,6-Dimethoxy-3-methyl-1,3-benzothiazol-2-one
CID 17980953
2-(3-Fluorophenyl)sulfanyl-4,5-dimethoxyaniline
CID 83008044
2-(2-Fluorophenyl)sulfanyl-4,5-dimethoxyaniline
CID 83008244
2-(3,4-Difluorophenyl)sulfanyl-4,5-dimethoxyaniline
CID 83008317
2-(4-Fluorophenyl)sulfanyl-4,5-dimethoxyaniline
CID 83008520
2-(2,4-Difluorophenyl)sulfanyl-4,5-dimethoxyaniline
CID 83008521
2-(2,5-Difluorophenyl)sulfanyl-4,5-dimethoxyaniline
CID 83008588

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline?
The IUPAC name of 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline (CID 139575699) is 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline.
What is the SMILES notation for 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline?
The canonical SMILES for 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline is CNc1c(SC)cc(OC)c(OC)c1F.
What is the InChIKey of 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline?
The InChIKey is HLUOAFNOZLAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-12-9-7(15-4)5-6(13-2)10(14-3)8(9)11/h5,12H,1-4H3.
What are the key properties of 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline?
2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline has a molecular weight of 231.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline is sourced from PubChem (CID 139575699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).