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

C17H17F2NS — CID 64613682

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NS/c1-20-17-13-5-3-2-4-11(13)6-9-16(17)21-12-7-8-14(18)15(19)10-12/h2-5,7-8,10,16-17,20H,6,9H2,1H3
InChIKeyXRNYGLGIQUMLTA-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.33
Rot. Bonds3

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

2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64613682) has the molecular formula C17H17F2NS and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64613682
Molecular FormulaC17H17F2NS
Molecular Weight305.39 g/mol
Exact Mass305.10
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NS/c1-20-17-13-5-3-2-4-11(13)6-9-16(17)21-12-7-8-14(18)15(19)10-12/h2-5,7-8,10,16-17,20H,6,9H2,1H3
InChIKeyXRNYGLGIQUMLTA-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64613682) is 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XRNYGLGIQUMLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NS/c1-20-17-13-5-3-2-4-11(13)6-9-16(17)21-12-7-8-14(18)15(19)10-12/h2-5,7-8,10,16-17,20H,6,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 305.39 g/mol, XLogP of 4.33, 3 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-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64613682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).