5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine

C14H22FNS — CID 64619560

IUPAC5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCSc1ccc(F)cc1
InChIInChI=1S/C14H22FNS/c1-3-10-16-12(2)5-4-11-17-14-8-6-13(15)7-9-14/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKeyWOEXAGWBWXLDFO-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.09
Rot. Bonds8

About 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine

5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine (PubChem CID 64619560) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
PubChem CID64619560
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC Name5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCSc1ccc(F)cc1
InChIInChI=1S/C14H22FNS/c1-3-10-16-12(2)5-4-11-17-14-8-6-13(15)7-9-14/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKeyWOEXAGWBWXLDFO-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-nitrophenyl)sulfanyl-N-propylpentan-2-amine
CID 64611747
N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide
CID 64649556
4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
CID 64649454
4-(4-fluorophenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63055475
N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine
CID 64621818
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
CID 64612532
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-(4-fluorophenyl)sulfanylbutan-2-amine
CID 131888894
N-[2-(4-fluorophenyl)sulfanylethyl]pentan-3-amine
CID 60687608
4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64625894

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine (CID 64619560) is 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine is CCCNC(C)CCCSc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
The InChIKey is WOEXAGWBWXLDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-3-10-16-12(2)5-4-11-17-14-8-6-13(15)7-9-14/h6-9,12,16H,3-5,10-11H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 64619560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).