1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

C17H21NO2S — CID 105013685

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1cc(OC)cc(OC)c1)c1ccccc1SC
InChIInChI=1S/C17H21NO2S/c1-18-17(15-7-5-6-8-16(15)21-4)12-9-13(19-2)11-14(10-12)20-3/h5-11,17-18H,1-4H3
InChIKeyLRDMBHHIPZRKQC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.73
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (PubChem CID 105013685) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
PubChem CID105013685
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1cc(OC)cc(OC)c1)c1ccccc1SC
InChIInChI=1S/C17H21NO2S/c1-18-17(15-7-5-6-8-16(15)21-4)12-9-13(19-2)11-14(10-12)20-3/h5-11,17-18H,1-4H3
InChIKeyLRDMBHHIPZRKQC-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-(2,4-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79212518
N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019109
1-(3,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850471
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105032973
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215705
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214867
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
1-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481310
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214753
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481084
2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 79217018

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (CID 105013685) is 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is CNC(c1cc(OC)cc(OC)c1)c1ccccc1SC.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The InChIKey is LRDMBHHIPZRKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18-17(15-7-5-6-8-16(15)21-4)12-9-13(19-2)11-14(10-12)20-3/h5-11,17-18H,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-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-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 105013685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).