1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene

C26H31NOS — CID 143784293

IUPAC1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene
SMILESC=C(C)c1ccc(-c2cscc2C)c(OC)c1.CCc1ccccc1/C(C)=N/C
InChIInChI=1S/C15H16OS.C11H15N/c1-10(2)12-5-6-13(15(7-12)16-4)14-9-17-8-11(14)3;1-4-10-7-5-6-8-11(10)9(2)12-3/h5-9H,1H2,2-4H3;5-8H,4H2,1-3H3/b;12-9+
InChIKeyMLDKPHOPIUQDCC-UWHSOXSGSA-N
MW405.61 g/mol
LogP7.45
Rot. Bonds5

About 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene

1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene (PubChem CID 143784293) has the molecular formula C26H31NOS and a molecular weight of 405.61 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene
PubChem CID143784293
Molecular FormulaC26H31NOS
Molecular Weight405.61 g/mol
Exact Mass405.21
IUPAC Name1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene
SMILESC=C(C)c1ccc(-c2cscc2C)c(OC)c1.CCc1ccccc1/C(C)=N/C
InChIInChI=1S/C15H16OS.C11H15N/c1-10(2)12-5-6-13(15(7-12)16-4)14-9-17-8-11(14)3;1-4-10-7-5-6-8-11(10)9(2)12-3/h5-9H,1H2,2-4H3;5-8H,4H2,1-3H3/b;12-9+
InChIKeyMLDKPHOPIUQDCC-UWHSOXSGSA-N
XLogP7.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine
CID 143784368
N-[2-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]prop-2-enyl]-1-[2-(2,2,2-trifluoroethyl)phenyl]ethanimine;methanethiol
CID 143784288
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
1-[1-(2-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 54132203
1-methoxy-2-methyl-3-(2-prop-1-en-2-ylphenyl)benzene
CID 170148355
4-tert-butyl-1,2-dimethylbenzene;1,2-dimethyl-4-prop-1-en-2-ylbenzene;ethane;1-ethyl-2-methylbenzene
CID 142057548
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane
CID 143032513
5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 59606535
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene?
The IUPAC name of 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene (CID 143784293) is 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene.
What is the SMILES notation for 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene?
The canonical SMILES for 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene is C=C(C)c1ccc(-c2cscc2C)c(OC)c1.CCc1ccccc1/C(C)=N/C.
What is the InChIKey of 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene?
The InChIKey is MLDKPHOPIUQDCC-UWHSOXSGSA-N. The full InChI is InChI=1S/C15H16OS.C11H15N/c1-10(2)12-5-6-13(15(7-12)16-4)14-9-17-8-11(14)3;1-4-10-7-5-6-8-11(10)9(2)12-3/h5-9H,1H2,2-4H3;5-8H,4H2,1-3H3/b;12-9+.
What are the key properties of 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene?
1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene has a molecular weight of 405.61 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene is sourced from PubChem (CID 143784293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).