(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine

C15H17NOS — CID 115793279

IUPAC(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCOc1ccccc1C(N)c1ccc(SC)cc1
InChIInChI=1S/C15H17NOS/c1-17-14-6-4-3-5-13(14)15(16)11-7-9-12(18-2)10-8-11/h3-10,15H,16H2,1-2H3
InChIKeyGOFKIOJPBNYZHI-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.47
Rot. Bonds4

About (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine

(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 115793279) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
PubChem CID115793279
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCOc1ccccc1C(N)c1ccc(SC)cc1
InChIInChI=1S/C15H17NOS/c1-17-14-6-4-3-5-13(14)15(16)11-7-9-12(18-2)10-8-11/h3-10,15H,16H2,1-2H3
InChIKeyGOFKIOJPBNYZHI-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
CID 106848520
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
[4-(aminomethyl)phenyl]-(2-methoxyphenyl)methanamine
CID 116937090
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine
CID 63648489
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine (CID 115793279) is (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine is COc1ccccc1C(N)c1ccc(SC)cc1.
What is the InChIKey of (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is GOFKIOJPBNYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-17-14-6-4-3-5-13(14)15(16)11-7-9-12(18-2)10-8-11/h3-10,15H,16H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine?
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 259.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115793279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).