4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine

C13H19F2NS — CID 64649454

IUPAC4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NS/c1-3-7-16-10(2)6-8-17-13-9-11(14)4-5-12(13)15/h4-5,9-10,16H,3,6-8H2,1-2H3
InChIKeyAPBHIBLZASVZHQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.84
Rot. Bonds7

About 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine

4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine (PubChem CID 64649454) has the molecular formula C13H19F2NS and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
PubChem CID64649454
Molecular FormulaC13H19F2NS
Molecular Weight259.36 g/mol
Exact Mass259.12
IUPAC Name4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NS/c1-3-7-16-10(2)6-8-17-13-9-11(14)4-5-12(13)15/h4-5,9-10,16H,3,6-8H2,1-2H3
InChIKeyAPBHIBLZASVZHQ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
N-[2-(2,5-difluorophenyl)sulfanylethyl]-3-methylbutan-1-amine
CID 55092243
ethyl 2-amino-4-(2,5-difluorophenyl)sulfanylbutanoate
CID 55145519
N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64648483
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
CID 64628326
methyl 2-amino-4-(2,5-difluorophenyl)sulfanylbutanoate
CID 63034697
4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64702656
ethyl 4-(2,5-difluorophenyl)sulfanyl-2-(ethylamino)butanoate
CID 63033799
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
4-(2,4-difluorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63033743
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine?
The IUPAC name of 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine (CID 64649454) is 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine is CCCNC(C)CCSc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine?
The InChIKey is APBHIBLZASVZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NS/c1-3-7-16-10(2)6-8-17-13-9-11(14)4-5-12(13)15/h4-5,9-10,16H,3,6-8H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine?
4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine has a molecular weight of 259.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 64649454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).