N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine

C18H23NOS — CID 64659185

IUPACN-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine
SMILESCNC(CS(=O)Cc1cccc(C)c1)c1ccccc1C
InChIInChI=1S/C18H23NOS/c1-14-7-6-9-16(11-14)12-21(20)13-18(19-3)17-10-5-4-8-15(17)2/h4-11,18-19H,12-13H2,1-3H3
InChIKeyWJBJWAZEYCUDMA-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine

N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine (PubChem CID 64659185) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine
PubChem CID64659185
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine
SMILESCNC(CS(=O)Cc1cccc(C)c1)c1ccccc1C
InChIInChI=1S/C18H23NOS/c1-14-7-6-9-16(11-14)12-21(20)13-18(19-3)17-10-5-4-8-15(17)2/h4-11,18-19H,12-13H2,1-3H3
InChIKeyWJBJWAZEYCUDMA-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(2-methylphenyl)ethanamine
CID 114792133
N,3,3-trimethyl-1-[(3-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659770
2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine
CID 114792263
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
N-methyl-3-[(3-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659965
N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
CID 64659975
N-methyl-2-[(3-methylphenyl)methylsulfinyl]pentan-3-amine
CID 64658400
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine
CID 64657635
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
1-[(3-methylphenyl)methylsulfinyl]butan-2-one
CID 64637584

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine (CID 64659185) is N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine is CNC(CS(=O)Cc1cccc(C)c1)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine?
The InChIKey is WJBJWAZEYCUDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14-7-6-9-16(11-14)12-21(20)13-18(19-3)17-10-5-4-8-15(17)2/h4-11,18-19H,12-13H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine?
N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine is sourced from PubChem (CID 64659185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).