2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine

C14H22FNS — CID 66072600

IUPAC2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)Sc1ccc(F)cc1
InChIInChI=1S/C14H22FNS/c1-3-9-14(11-16,10-4-2)17-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyWNGBQRGXAUAQGJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.22
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine

2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine (PubChem CID 66072600) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine
PubChem CID66072600
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC Name2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)Sc1ccc(F)cc1
InChIInChI=1S/C14H22FNS/c1-3-9-14(11-16,10-4-2)17-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyWNGBQRGXAUAQGJ-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine (CID 66072600) is 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine is CCCC(CN)(CCC)Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine?
The InChIKey is WNGBQRGXAUAQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-3-9-14(11-16,10-4-2)17-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine?
2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine has a molecular weight of 255.40 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 2-(4-fluorophenyl)sulfanyl-2-propylpentan-1-amine is sourced from PubChem (CID 66072600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).