2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine

C10H13F2NS — CID 117309692

IUPAC2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine
SMILESCNCCc1cccc(SC(F)F)c1
InChIInChI=1S/C10H13F2NS/c1-13-6-5-8-3-2-4-9(7-8)14-10(11)12/h2-4,7,10,13H,5-6H2,1H3
InChIKeyKABDHJSTDLKRLB-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.76
Rot. Bonds5

About 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine

2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine (PubChem CID 117309692) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine
PubChem CID117309692
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine
SMILESCNCCc1cccc(SC(F)F)c1
InChIInChI=1S/C10H13F2NS/c1-13-6-5-8-3-2-4-9(7-8)14-10(11)12/h2-4,7,10,13H,5-6H2,1H3
InChIKeyKABDHJSTDLKRLB-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine 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-[3-(difluoromethylsulfanyl)phenyl]-N-methoxymethanamine
CID 117312262
N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348149
O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
CID 117293314
2-[3-(difluoromethylsulfanyl)phenyl]acetic acid
CID 117310720
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
CID 117434501
N,N-diethyl-3-[2-(methylamino)ethyl]aniline
CID 96768537
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine (CID 117309692) is 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine is CNCCc1cccc(SC(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine?
The InChIKey is KABDHJSTDLKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-13-6-5-8-3-2-4-9(7-8)14-10(11)12/h2-4,7,10,13H,5-6H2,1H3.
What are the key properties of 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine?
2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine has a molecular weight of 217.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117309692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).