N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine

C17H19F2NS — CID 64648483

IUPACN-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
SMILESCCCNC(CSc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C17H19F2NS/c1-2-10-20-16(13-6-4-3-5-7-13)12-21-17-11-14(18)8-9-15(17)19/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyHVHHXRSVBKLBDK-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.80
Rot. Bonds7

About N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine

N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine (PubChem CID 64648483) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
PubChem CID64648483
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
SMILESCCCNC(CSc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C17H19F2NS/c1-2-10-20-16(13-6-4-3-5-7-13)12-21-17-11-14(18)8-9-15(17)19/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyHVHHXRSVBKLBDK-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

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Related Compounds

N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
CID 64649454
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424857
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 65132971
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine (CID 64648483) is N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine is CCCNC(CSc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine?
The InChIKey is HVHHXRSVBKLBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-2-10-20-16(13-6-4-3-5-7-13)12-21-17-11-14(18)8-9-15(17)19/h3-9,11,16,20H,2,10,12H2,1H3.
What are the key properties of N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine?
N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]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-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 64648483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).