1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine

C22H29N — CID 143784368

IUPAC1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine
SMILESC=C(C)c1ccc(C)c(C)c1.CCc1ccccc1/C(C)=N/C
InChIInChI=1S/C11H15N.C11H14/c1-4-10-7-5-6-8-11(10)9(2)12-3;1-8(2)11-6-5-9(3)10(4)7-11/h5-8H,4H2,1-3H3;5-7H,1H2,2-4H3/b12-9+;
InChIKeyPBNSNSSXLJSFQG-NBYYMMLRSA-N
MW307.48 g/mol
LogP6.02
Rot. Bonds3

About 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine

1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine (PubChem CID 143784368) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine.

Molecular Properties

Compound Name1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine
PubChem CID143784368
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine
SMILESC=C(C)c1ccc(C)c(C)c1.CCc1ccccc1/C(C)=N/C
InChIInChI=1S/C11H15N.C11H14/c1-4-10-7-5-6-8-11(10)9(2)12-3;1-8(2)11-6-5-9(3)10(4)7-11/h5-8H,4H2,1-3H3;5-7H,1H2,2-4H3/b12-9+;
InChIKeyPBNSNSSXLJSFQG-NBYYMMLRSA-N
XLogP6.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylphenyl)-N-methylethanimine;3-(2-methoxy-4-prop-1-en-2-ylphenyl)-4-methylthiophene
CID 143784293
4-tert-butyl-1,2-dimethylbenzene;1,2-dimethyl-4-prop-1-en-2-ylbenzene;ethane;1-ethyl-2-methylbenzene
CID 142057548
CID 91125880
CID 91125880
1-[1-(2-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 54132203
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
(E)-1-(3,4-dimethylphenyl)-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]ethanimine
CID 177451441
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine?
The IUPAC name of 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine (CID 143784368) is 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine.
What is the SMILES notation for 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine?
The canonical SMILES for 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine is C=C(C)c1ccc(C)c(C)c1.CCc1ccccc1/C(C)=N/C.
What is the InChIKey of 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine?
The InChIKey is PBNSNSSXLJSFQG-NBYYMMLRSA-N. The full InChI is InChI=1S/C11H15N.C11H14/c1-4-10-7-5-6-8-11(10)9(2)12-3;1-8(2)11-6-5-9(3)10(4)7-11/h5-8H,4H2,1-3H3;5-7H,1H2,2-4H3/b12-9+;.
What are the key properties of 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine?
1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine has a molecular weight of 307.48 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine is sourced from PubChem (CID 143784368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).