1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

C18H23NOS — CID 105032973

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1ccccc1SC
InChIInChI=1S/C18H23NOS/c1-12-11-16(20-4)13(2)10-15(12)18(19-3)14-8-6-7-9-17(14)21-5/h6-11,18-19H,1-5H3
InChIKeyRXHNYZQZMMGQGI-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.34
Rot. Bonds5

About 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (PubChem CID 105032973) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
PubChem CID105032973
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1ccccc1SC
InChIInChI=1S/C18H23NOS/c1-12-11-16(20-4)13(2)10-15(12)18(19-3)14-8-6-7-9-17(14)21-5/h6-11,18-19H,1-5H3
InChIKeyRXHNYZQZMMGQGI-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032769
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214867
1-(2,4-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79212518
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105013685
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788
1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990154
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (CID 105032973) is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is CNC(c1cc(C)c(OC)cc1C)c1ccccc1SC.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The InChIKey is RXHNYZQZMMGQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-12-11-16(20-4)13(2)10-15(12)18(19-3)14-8-6-7-9-17(14)21-5/h6-11,18-19H,1-5H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 105032973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).