4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine

C14H21F2NS — CID 64702656

IUPAC4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Sc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NS/c1-4-7-17-10(2)8-11(3)18-14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyYXLSGRRNOFIECJ-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.22
Rot. Bonds7

About 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine

4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine (PubChem CID 64702656) has the molecular formula C14H21F2NS and a molecular weight of 273.39 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
PubChem CID64702656
Molecular FormulaC14H21F2NS
Molecular Weight273.39 g/mol
Exact Mass273.14
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Sc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NS/c1-4-7-17-10(2)8-11(3)18-14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyYXLSGRRNOFIECJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenyl)sulfanylpropyl]butan-2-amine
CID 55092288
4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
CID 64649454
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 66137016
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine
CID 64704073
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 61385821
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
4-(2,4-difluorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63033743

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine (CID 64702656) is 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine is CCCNC(C)CC(C)Sc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine?
The InChIKey is YXLSGRRNOFIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NS/c1-4-7-17-10(2)8-11(3)18-14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,4,7-8H2,1-3H3.
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine?
4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine has a molecular weight of 273.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 64702656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).