N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine

C17H21NOS — CID 64659975

IUPACN-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
SMILESCNC(CS(=O)Cc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-14-8-6-7-11-16(14)12-20(19)13-17(18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKeyNZUOYRHNNUFRSR-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.20
Rot. Bonds6

About N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine

N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine (PubChem CID 64659975) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
PubChem CID64659975
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
SMILESCNC(CS(=O)Cc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-14-8-6-7-11-16(14)12-20(19)13-17(18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKeyNZUOYRHNNUFRSR-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220
N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658019
N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659977
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide
CID 114232059
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
2-acetamido-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 64583534
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659390
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
CID 64652573
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine
CID 64659185

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine?
The IUPAC name of N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine (CID 64659975) is N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine?
The canonical SMILES for N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine is CNC(CS(=O)Cc1ccccc1C)c1ccccc1.
What is the InChIKey of N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine?
The InChIKey is NZUOYRHNNUFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-14-8-6-7-11-16(14)12-20(19)13-17(18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine?
N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine is sourced from PubChem (CID 64659975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).