6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol

C15H23F2NOS — CID 64820158

IUPAC6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1ccc(F)cc1F
InChIInChI=1S/C15H23F2NOS/c1-3-18-15(2,11-19)8-4-5-9-20-14-7-6-12(16)10-13(14)17/h6-7,10,18-19H,3-5,8-9,11H2,1-2H3
InChIKeyASXPHWIXRPQVAR-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.59
Rot. Bonds9

About 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol

6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64820158) has the molecular formula C15H23F2NOS and a molecular weight of 303.42 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64820158
Molecular FormulaC15H23F2NOS
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1ccc(F)cc1F
InChIInChI=1S/C15H23F2NOS/c1-3-18-15(2,11-19)8-4-5-9-20-14-7-6-12(16)10-13(14)17/h6-7,10,18-19H,3-5,8-9,11H2,1-2H3
InChIKeyASXPHWIXRPQVAR-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64821724
2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol
CID 64821924
4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64820392
3-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64821726
6-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
CID 64806590
2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol
CID 64808310
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
4-(2,4-difluorophenyl)sulfanyl-2,2-dimethylbutanoic acid
CID 65253692
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
CID 64806619
5-(2,4-difluorophenyl)sulfanyl-2-ethyl-2-(methylamino)pentanenitrile
CID 106805046
5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810959

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol (CID 64820158) is 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCSc1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is ASXPHWIXRPQVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NOS/c1-3-18-15(2,11-19)8-4-5-9-20-14-7-6-12(16)10-13(14)17/h6-7,10,18-19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol?
6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 303.42 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64820158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).