1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine

C15H23F2NS — CID 114932103

IUPAC1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)CC)Cc1c(F)cccc1F
InChIInChI=1S/C15H23F2NS/c1-4-11(3)19-10-12(18-5-2)9-13-14(16)7-6-8-15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyXZIDKWBKBYOBLR-UHFFFAOYSA-N
MW287.42 g/mol
LogP4.02
Rot. Bonds8

About 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine

1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 114932103) has the molecular formula C15H23F2NS and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID114932103
Molecular FormulaC15H23F2NS
Molecular Weight287.42 g/mol
Exact Mass287.15
IUPAC Name1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)CC)Cc1c(F)cccc1F
InChIInChI=1S/C15H23F2NS/c1-4-11(3)19-10-12(18-5-2)9-13-14(16)7-6-8-15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyXZIDKWBKBYOBLR-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931519
1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932102
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
1-butan-2-ylsulfanyl-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 65136261
1-(2,6-difluorophenyl)-N-ethyl-3-methyl-4-methylsulfanylbutan-2-amine
CID 114222076
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine (CID 114932103) is 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine is CCNC(CSC(C)CC)Cc1c(F)cccc1F.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is XZIDKWBKBYOBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NS/c1-4-11(3)19-10-12(18-5-2)9-13-14(16)7-6-8-15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 287.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 114932103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).