1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline

C24H33NS — CID 144794779

IUPAC1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline
SMILESC=C(C)Cc1cc(C)c(N)cc1CC.C=C(SC)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19N.C11H14S/c1-5-11-8-13(14)10(4)7-12(11)6-9(2)3;1-8-5-6-11(7-9(8)2)10(3)12-4/h7-8H,2,5-6,14H2,1,3-4H3;5-7H,3H2,1-2,4H3
InChIKeyDQKWGVBUHXMPOO-UHFFFAOYSA-N
MW367.60 g/mol
LogP6.90
Rot. Bonds5

About 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline

1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline (PubChem CID 144794779) has the molecular formula C24H33NS and a molecular weight of 367.60 g/mol. Its IUPAC name is 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline
PubChem CID144794779
Molecular FormulaC24H33NS
Molecular Weight367.60 g/mol
Exact Mass367.23
IUPAC Name1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline
SMILESC=C(C)Cc1cc(C)c(N)cc1CC.C=C(SC)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19N.C11H14S/c1-5-11-8-13(14)10(4)7-12(11)6-9(2)3;1-8-5-6-11(7-9(8)2)10(3)12-4/h7-8H,2,5-6,14H2,1,3-4H3;5-7H,3H2,1-2,4H3
InChIKeyDQKWGVBUHXMPOO-UHFFFAOYSA-N
XLogP6.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-4-(2-methylprop-2-enyl)aniline;7-fluoro-7-methyl-3-(1-methylsulfanylethenyl)-5,6,8,9-tetrahydrobenzo[7]annulene
CID 144794808
2,5-dimethyl-4-(2-methylprop-2-enyl)aniline;5-methylidene-3-(1-methylsulfanylethenyl)-6,7,8,9-tetrahydrobenzo[7]annulene
CID 144794826
1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline
CID 144794623
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
4-amino-2-ethyl-5-methylphenol
CID 105429592
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
methyl N-[1-(3,4-dimethylphenyl)ethenyl]ethanimidothioate
CID 143876226
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951
2-(3,4-dimethylphenyl)prop-2-enamide
CID 69495371
2-methyl-4-[(Z)-1-methylsulfanylbut-1-enyl]aniline
CID 143935281
sodium;3-amino-4-methylbenzoic acid;3,4-dimethylbenzoic acid;hydroxide
CID 161106922
4-tert-butyl-1,2-dimethylbenzene;1,2-dimethyl-4-prop-1-en-2-ylbenzene;ethane;1-ethyl-2-methylbenzene
CID 142057548

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline?
The IUPAC name of 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline (CID 144794779) is 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline?
The canonical SMILES for 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline is C=C(C)Cc1cc(C)c(N)cc1CC.C=C(SC)c1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline?
The InChIKey is DQKWGVBUHXMPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C11H14S/c1-5-11-8-13(14)10(4)7-12(11)6-9(2)3;1-8-5-6-11(7-9(8)2)10(3)12-4/h7-8H,2,5-6,14H2,1,3-4H3;5-7H,3H2,1-2,4H3.
What are the key properties of 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline?
1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline has a molecular weight of 367.60 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 144794779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).