1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine

C12H19NS — CID 143321759

IUPAC1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine
SMILESCCc1cc(SC)ccc1CN(C)C
InChIInChI=1S/C12H19NS/c1-5-10-8-12(14-4)7-6-11(10)9-13(2)3/h6-8H,5,9H2,1-4H3
InChIKeyOWWBQAYWFVBAQY-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine

1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine (PubChem CID 143321759) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine
PubChem CID143321759
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine
SMILESCCc1cc(SC)ccc1CN(C)C
InChIInChI=1S/C12H19NS/c1-5-10-8-12(14-4)7-6-11(10)9-13(2)3/h6-8H,5,9H2,1-4H3
InChIKeyOWWBQAYWFVBAQY-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-4-methylsulfanylphenyl)acetonitrile
CID 91881729
2-bromo-1-ethyl-4-methylsulfanylbenzene
CID 91880744
S-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]thiohydroxylamine
CID 143019197
N-(2-ethyl-5-methylsulfanylphenyl)acetamide
CID 91881108
N-(2-ethyl-4-methylsulfanylphenyl)formamide
CID 162524929
2-(isocyanatomethyl)-5-methylsulfanylphenol
CID 117285414
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
1-[5-chloro-2-(4-methylsulfanylphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;oxalic acid
CID 67616832
N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]sulfanylacetamide
CID 142087977
2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene
CID 143541778
1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol
CID 117286502
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine (CID 143321759) is 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine is CCc1cc(SC)ccc1CN(C)C.
What is the InChIKey of 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine?
The InChIKey is OWWBQAYWFVBAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-5-10-8-12(14-4)7-6-11(10)9-13(2)3/h6-8H,5,9H2,1-4H3.
What are the key properties of 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine?
1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 143321759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).