N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine

C17H19F2NS — CID 115859835

IUPACN-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1SC)c1c(F)cccc1F
InChIInChI=1S/C17H19F2NS/c1-3-11-20-17(12-7-4-5-10-15(12)21-2)16-13(18)8-6-9-14(16)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyBJRCQWGBFKVMTC-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.78
Rot. Bonds6

About N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine (PubChem CID 115859835) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
PubChem CID115859835
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1SC)c1c(F)cccc1F
InChIInChI=1S/C17H19F2NS/c1-3-11-20-17(12-7-4-5-10-15(12)21-2)16-13(18)8-6-9-14(16)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyBJRCQWGBFKVMTC-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]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

N-[(4-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 79214264
N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115801336
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991415
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine (CID 115859835) is N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1SC)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
The InChIKey is BJRCQWGBFKVMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-3-11-20-17(12-7-4-5-10-15(12)21-2)16-13(18)8-6-9-14(16)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine has a molecular weight of 307.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115859835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).