2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine

C14H19F2NOS — CID 55092442

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)Sc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NOS/c1-10(8-17-9-12-3-2-6-18-12)19-14-5-4-11(15)7-13(14)16/h4-5,7,10,12,17H,2-3,6,8-9H2,1H3
InChIKeyWQESVYCFPFXBNK-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.21
Rot. Bonds6

About 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine

2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55092442) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55092442
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)Sc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NOS/c1-10(8-17-9-12-3-2-6-18-12)19-14-5-4-11(15)7-13(14)16/h4-5,7,10,12,17H,2-3,6,8-9H2,1H3
InChIKeyWQESVYCFPFXBNK-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55092442) is 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is WQESVYCFPFXBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-10(8-17-9-12-3-2-6-18-12)19-14-5-4-11(15)7-13(14)16/h4-5,7,10,12,17H,2-3,6,8-9H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55092442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).