1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine

C17H21NO2S — CID 105052091

IUPAC1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1c(OC)cccc1OC
InChIInChI=1S/C17H21NO2S/c1-18-17(12-8-10-13(21-4)11-9-12)16-14(19-2)6-5-7-15(16)20-3/h5-11,17-18H,1-4H3
InChIKeyRRBWWVPSJYYVOL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.73
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine

1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 105052091) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
PubChem CID105052091
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1c(OC)cccc1OC
InChIInChI=1S/C17H21NO2S/c1-18-17(12-8-10-13(21-4)11-9-12)16-14(19-2)6-5-7-15(16)20-3/h5-11,17-18H,1-4H3
InChIKeyRRBWWVPSJYYVOL-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
1-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294
1-(3-bromophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810308
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
1-(2,6-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025959
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (CID 105052091) is 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is CNC(c1ccc(SC)cc1)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is RRBWWVPSJYYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18-17(12-8-10-13(21-4)11-9-12)16-14(19-2)6-5-7-15(16)20-3/h5-11,17-18H,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 105052091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).