N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine

C12H17F2NS — CID 62800720

IUPACN-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NS/c1-3-6-15-12(8-16-2)10-5-4-9(13)7-11(10)14/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyCMEUCGVRDBRIFZ-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine

N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine (PubChem CID 62800720) has the molecular formula C12H17F2NS and a molecular weight of 245.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
PubChem CID62800720
Molecular FormulaC12H17F2NS
Molecular Weight245.34 g/mol
Exact Mass245.10
IUPAC NameN-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NS/c1-3-6-15-12(8-16-2)10-5-4-9(13)7-11(10)14/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyCMEUCGVRDBRIFZ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine 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-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 65128468
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
N-[1-(2,4-difluorophenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]propan-1-amine
CID 105143646
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine (CID 62800720) is N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine is CCCNC(CSC)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine?
The InChIKey is CMEUCGVRDBRIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NS/c1-3-6-15-12(8-16-2)10-5-4-9(13)7-11(10)14/h4-5,7,12,15H,3,6,8H2,1-2H3.
What are the key properties of N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine?
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine has a molecular weight of 245.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 62800720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).