2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine

C14H22F2N2S — CID 107525314

IUPAC2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
SMILESCCN(CC)CCSCC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H22F2N2S/c1-3-18(4-2)7-8-19-10-14(17)12-9-11(15)5-6-13(12)16/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyAFIJBPDBMPLXCX-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.04
Rot. Bonds8

About 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine

2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine (PubChem CID 107525314) has the molecular formula C14H22F2N2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
PubChem CID107525314
Molecular FormulaC14H22F2N2S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
SMILESCCN(CC)CCSCC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H22F2N2S/c1-3-18(4-2)7-8-19-10-14(17)12-9-11(15)5-6-13(12)16/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyAFIJBPDBMPLXCX-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)-2-pentylsulfanylethanamine
CID 107763082
2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
CID 107524370
3-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylpropan-1-ol
CID 107525347
1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 107520140
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000
1-(2,5-difluorophenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 107520253
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525556
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine (CID 107525314) is 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine is CCN(CC)CCSCC(N)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is AFIJBPDBMPLXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2S/c1-3-18(4-2)7-8-19-10-14(17)12-9-11(15)5-6-13(12)16/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 288.41 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 107525314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).