2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine

C17H21NS — CID 115800677

IUPAC2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H21NS/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(19-3)7-5-15/h4-10,17H,11,18H2,1-3H3
InChIKeyOEGQVYDEUNQMRH-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.27
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine

2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 115800677) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID115800677
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H21NS/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(19-3)7-5-15/h4-10,17H,11,18H2,1-3H3
InChIKeyOEGQVYDEUNQMRH-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 114980284
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
CID 54911208
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine
CID 61028896
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine (CID 115800677) is 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(N)Cc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is OEGQVYDEUNQMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(19-3)7-5-15/h4-10,17H,11,18H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115800677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).