2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine

C16H17F2NS — CID 64615581

IUPAC2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine
SMILESCCC(Sc1ccc(F)c(F)c1)C(N)c1ccccc1
InChIInChI=1S/C16H17F2NS/c1-2-15(16(19)11-6-4-3-5-7-11)20-12-8-9-13(17)14(18)10-12/h3-10,15-16H,2,19H2,1H3
InChIKeyJGQNOGSDRQSPPU-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.54
Rot. Bonds5

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

2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine (PubChem CID 64615581) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine
PubChem CID64615581
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine
SMILESCCC(Sc1ccc(F)c(F)c1)C(N)c1ccccc1
InChIInChI=1S/C16H17F2NS/c1-2-15(16(19)11-6-4-3-5-7-11)20-12-8-9-13(17)14(18)10-12/h3-10,15-16H,2,19H2,1H3
InChIKeyJGQNOGSDRQSPPU-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)sulfanylpentan-3-amine
CID 64614302
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 65041016
2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 76915909
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
CID 134008249
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
CID 104604730
3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116598880
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 24500467
4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine (CID 64615581) is 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine is CCC(Sc1ccc(F)c(F)c1)C(N)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine?
The InChIKey is JGQNOGSDRQSPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-2-15(16(19)11-6-4-3-5-7-11)20-12-8-9-13(17)14(18)10-12/h3-10,15-16H,2,19H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine?
2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64615581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).