5-(2,4-difluorophenyl)sulfanylpentan-2-amine

C11H15F2NS — CID 64615173

IUPAC5-(2,4-difluorophenyl)sulfanylpentan-2-amine
SMILESCC(N)CCCSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NS/c1-8(14)3-2-6-15-11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyNLDRSXBWPXZFLU-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.18
Rot. Bonds5

About 5-(2,4-difluorophenyl)sulfanylpentan-2-amine

5-(2,4-difluorophenyl)sulfanylpentan-2-amine (PubChem CID 64615173) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfanylpentan-2-amine
PubChem CID64615173
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name5-(2,4-difluorophenyl)sulfanylpentan-2-amine
SMILESCC(N)CCCSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NS/c1-8(14)3-2-6-15-11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyNLDRSXBWPXZFLU-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.18
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

6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
5-(3,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615787
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
1-(2-butylsulfanyl-5-fluorophenyl)propan-2-amine
CID 63818309
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613499
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829
5-(2-methylphenyl)sulfanylpentan-2-amine
CID 64649281
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840
6-(2,4-dimethylphenyl)sulfanylhexan-2-amine
CID 64620510

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfanylpentan-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)sulfanylpentan-2-amine (CID 64615173) is 5-(2,4-difluorophenyl)sulfanylpentan-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfanylpentan-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfanylpentan-2-amine is CC(N)CCCSc1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfanylpentan-2-amine?
The InChIKey is NLDRSXBWPXZFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-8(14)3-2-6-15-11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3.
What are the key properties of 5-(2,4-difluorophenyl)sulfanylpentan-2-amine?
5-(2,4-difluorophenyl)sulfanylpentan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfanylpentan-2-amine is sourced from PubChem (CID 64615173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).