(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine

C17H21NO2S — CID 79212717

IUPAC(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccc(SC)cc2)cc1OC
InChIInChI=1S/C17H21NO2S/c1-11-9-15(19-2)16(20-3)10-14(11)17(18)12-5-7-13(21-4)8-6-12/h5-10,17H,18H2,1-4H3
InChIKeyJIERQMJXXLKBAI-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.78
Rot. Bonds5

About (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine

(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 79212717) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
PubChem CID79212717
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccc(SC)cc2)cc1OC
InChIInChI=1S/C17H21NO2S/c1-11-9-15(19-2)16(20-3)10-14(11)17(18)12-5-7-13(21-4)8-6-12/h5-10,17H,18H2,1-4H3
InChIKeyJIERQMJXXLKBAI-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626695
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
CID 79217222
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine (CID 79212717) is (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine is COc1cc(C)c(C(N)c2ccc(SC)cc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is JIERQMJXXLKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-11-9-15(19-2)16(20-3)10-14(11)17(18)12-5-7-13(21-4)8-6-12/h5-10,17H,18H2,1-4H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79212717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).