1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine

C14H12ClF2NS — CID 63809424

IUPAC1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Sc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NS/c1-18-8-10-11(15)3-2-4-13(10)19-14-7-9(16)5-6-12(14)17/h2-7,18H,8H2,1H3
InChIKeyPYBWYCAQVNRXAT-UHFFFAOYSA-N
MW299.77 g/mol
LogP4.49
Rot. Bonds4

About 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine

1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 63809424) has the molecular formula C14H12ClF2NS and a molecular weight of 299.77 g/mol. Its IUPAC name is 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID63809424
Molecular FormulaC14H12ClF2NS
Molecular Weight299.77 g/mol
Exact Mass299.03
IUPAC Name1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Sc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NS/c1-18-8-10-11(15)3-2-4-13(10)19-14-7-9(16)5-6-12(14)17/h2-7,18H,8H2,1H3
InChIKeyPYBWYCAQVNRXAT-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine (CID 63809424) is 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1Sc1cc(F)ccc1F.
What is the InChIKey of 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is PYBWYCAQVNRXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NS/c1-18-8-10-11(15)3-2-4-13(10)19-14-7-9(16)5-6-12(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine?
1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 299.77 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63809424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).