N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine

C17H19Cl2NOS — CID 42962675

IUPACN-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine
SMILESCC(c1ccccc1)N(C)CCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NOS/c1-13(14-6-4-3-5-7-14)20(2)10-11-22(21)17-12-15(18)8-9-16(17)19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyRVMBQMFUNIBPPN-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.79
Rot. Bonds6

About N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine

N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine (PubChem CID 42962675) has the molecular formula C17H19Cl2NOS and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine
PubChem CID42962675
Molecular FormulaC17H19Cl2NOS
Molecular Weight356.32 g/mol
Exact Mass355.06
IUPAC NameN-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine
SMILESCC(c1ccccc1)N(C)CCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NOS/c1-13(14-6-4-3-5-7-14)20(2)10-11-22(21)17-12-15(18)8-9-16(17)19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyRVMBQMFUNIBPPN-UHFFFAOYSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine (CID 42962675) is N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine is CC(c1ccccc1)N(C)CCS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine?
The InChIKey is RVMBQMFUNIBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NOS/c1-13(14-6-4-3-5-7-14)20(2)10-11-22(21)17-12-15(18)8-9-16(17)19/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine?
N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine has a molecular weight of 356.32 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 42962675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).