1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine

C13H17F2NS — CID 55092492

IUPAC1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine
SMILESCC(NCCSc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H17F2NS/c1-9(10-2-3-10)16-6-7-17-13-5-4-11(14)8-12(13)15/h4-5,8-10,16H,2-3,6-7H2,1H3
InChIKeyWNDSOYKHYIRGMX-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.44
Rot. Bonds6

About 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine

1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine (PubChem CID 55092492) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine
PubChem CID55092492
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC Name1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine
SMILESCC(NCCSc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H17F2NS/c1-9(10-2-3-10)16-6-7-17-13-5-4-11(14)8-12(13)15/h4-5,8-10,16H,2-3,6-7H2,1H3
InChIKeyWNDSOYKHYIRGMX-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.44
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

1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 61385821
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
N-[2-(3-chlorophenyl)sulfanylethyl]-1-cyclopropylethanamine
CID 62646836
N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 104755082
N-[2-(2,4-difluorophenyl)sulfanylethyl]-2-ethoxyethanamine
CID 55092391
N-[2-(2,4-difluorophenyl)sulfanylethyl]-3-ethoxypropan-1-amine
CID 62576568
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine (CID 55092492) is 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine is CC(NCCSc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine?
The InChIKey is WNDSOYKHYIRGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c1-9(10-2-3-10)16-6-7-17-13-5-4-11(14)8-12(13)15/h4-5,8-10,16H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine?
1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine is sourced from PubChem (CID 55092492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).