2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine

C12H19NS — CID 117299568

IUPAC2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)c(C)cc1SC
InChIInChI=1S/C12H19NS/c1-9-7-11(5-6-13-3)12(14-4)8-10(9)2/h7-8,13H,5-6H2,1-4H3
InChIKeyFYEUUDYQDZGTNO-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.79
Rot. Bonds4

About 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine

2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine (PubChem CID 117299568) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine
PubChem CID117299568
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)c(C)cc1SC
InChIInChI=1S/C12H19NS/c1-9-7-11(5-6-13-3)12(14-4)8-10(9)2/h7-8,13H,5-6H2,1-4H3
InChIKeyFYEUUDYQDZGTNO-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-bis(methylsulfanyl)phenyl]-N-methylethanamine
CID 117327527
4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
2,5-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 58911397
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
CID 117294246
[4,5-dihydroxy-2-[2-(methylamino)ethyl]phenyl] thiohypofluorite
CID 153354066
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
CID 117302130
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine (CID 117299568) is 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine is CNCCc1cc(C)c(C)cc1SC.
What is the InChIKey of 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine?
The InChIKey is FYEUUDYQDZGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-7-11(5-6-13-3)12(14-4)8-10(9)2/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine?
2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine has a molecular weight of 209.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine is sourced from PubChem (CID 117299568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).