2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline

C15H23NS — CID 114269775

IUPAC2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
SMILESCCc1cccc(C)c1NCC1(SC)CCC1
InChIInChI=1S/C15H23NS/c1-4-13-8-5-7-12(2)14(13)16-11-15(17-3)9-6-10-15/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyOQYPLJYDVBGJHA-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.26
Rot. Bonds5

About 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline

2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline (PubChem CID 114269775) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
PubChem CID114269775
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
SMILESCCc1cccc(C)c1NCC1(SC)CCC1
InChIInChI=1S/C15H23NS/c1-4-13-8-5-7-12(2)14(13)16-11-15(17-3)9-6-10-15/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyOQYPLJYDVBGJHA-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572889
N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
CID 54807025
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266965
N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline
CID 79837088
N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine
CID 107268844
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline (CID 114269775) is 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline is CCc1cccc(C)c1NCC1(SC)CCC1.
What is the InChIKey of 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
The InChIKey is OQYPLJYDVBGJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-13-8-5-7-12(2)14(13)16-11-15(17-3)9-6-10-15/h5,7-8,16H,4,6,9-11H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline has a molecular weight of 249.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]aniline is sourced from PubChem (CID 114269775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).