1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine

C11H15F2NS — CID 64613894

IUPAC1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(C)CSc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyKOVYMOIGAUQRDO-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.05
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine

1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine (PubChem CID 64613894) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine
PubChem CID64613894
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(C)CSc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyKOVYMOIGAUQRDO-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
1-(3,4-difluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64614516
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
1-bromo-3-(3,4-difluorophenyl)sulfanylpropan-2-ol
CID 112560941
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
1-[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]-N-ethylethanamine
CID 82954533
1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
CID 64648859
2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 62576763
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine (CID 64613894) is 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine is CCNC(C)CSc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine?
The InChIKey is KOVYMOIGAUQRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine?
1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 64613894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).