(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine

C16H19NS — CID 115850522

IUPAC(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2cccc(C)c2C)cc1
InChIInChI=1S/C16H19NS/c1-11-5-4-6-15(12(11)2)16(17)13-7-9-14(18-3)10-8-13/h4-10,16H,17H2,1-3H3
InChIKeyDSEDFLXDMNXZNC-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.07
Rot. Bonds3

About (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine

(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 115850522) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
PubChem CID115850522
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2cccc(C)c2C)cc1
InChIInChI=1S/C16H19NS/c1-11-5-4-6-15(12(11)2)16(17)13-7-9-14(18-3)10-8-13/h4-10,16H,17H2,1-3H3
InChIKeyDSEDFLXDMNXZNC-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115566688
(S)-(2,3-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240516
(2,3-dimethylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 105020875
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
(2,3-dimethylphenyl)-(2-iodophenyl)methanamine
CID 115850479

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine (CID 115850522) is (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2cccc(C)c2C)cc1.
What is the InChIKey of (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is DSEDFLXDMNXZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-11-5-4-6-15(12(11)2)16(17)13-7-9-14(18-3)10-8-13/h4-10,16H,17H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115850522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).