N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine

C11H15F2NS — CID 61385821

IUPACN-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNCCSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NS/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h3-4,8,14H,2,5-7H2,1H3
InChIKeyOAJCQDNJIXPWEQ-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine (PubChem CID 61385821) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
PubChem CID61385821
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC NameN-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNCCSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NS/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h3-4,8,14H,2,5-7H2,1H3
InChIKeyOAJCQDNJIXPWEQ-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.06
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

N-[2-(2,4-difluorophenyl)sulfanylethyl]-2-ethoxyethanamine
CID 55092391
N-[2-(2,4-difluorophenyl)sulfanylethyl]-3-ethoxypropan-1-amine
CID 62576568
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
4-(2,4-difluorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63033743
4-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64821724
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 55092341
N-[2-(2,5-difluorophenyl)sulfanylethyl]-3-methylbutan-1-amine
CID 55092243
1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine
CID 55092492
3-[4-fluoro-2-(propylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66128560
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
N-[[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63807464

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine (CID 61385821) is N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine is CCCNCCSc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
The InChIKey is OAJCQDNJIXPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h3-4,8,14H,2,5-7H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine has a molecular weight of 231.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 61385821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).