N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine

C17H19F2NS — CID 66051528

IUPACN-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NS/c1-2-11-20-16(13-7-9-14(18)10-8-13)12-21-17-6-4-3-5-15(17)19/h3-10,16,20H,2,11-12H2,1H3
InChIKeyYSQMPABZIALGHF-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.80
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine

N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine (PubChem CID 66051528) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
PubChem CID66051528
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NS/c1-2-11-20-16(13-7-9-14(18)10-8-13)12-21-17-6-4-3-5-15(17)19/h3-10,16,20H,2,11-12H2,1H3
InChIKeyYSQMPABZIALGHF-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]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-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64648483
N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 65132971
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
CID 66053069
1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64619887
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
N-[2-(2-chlorophenyl)sulfanyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 66140977
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 114656036
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
N-[(4-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 79214264

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine (CID 66051528) is N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine is CCCNC(CSc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine?
The InChIKey is YSQMPABZIALGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-2-11-20-16(13-7-9-14(18)10-8-13)12-21-17-6-4-3-5-15(17)19/h3-10,16,20H,2,11-12H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine?
N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine has a molecular weight of 307.41 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 66051528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).