1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane

C23H34N2O — CID 144506946

IUPAC1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
SMILESC=C(C)c1cc(C)cc(C)c1N.CC.CC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C11H15N.C10H13NO.C2H6/c1-7(2)10-6-8(3)5-9(4)11(10)12;1-6-4-7(2)10(11)9(5-6)8(3)12;1-2/h5-6H,1,12H2,2-4H3;4-5H,11H2,1-3H3;1-2H3
InChIKeyLUXNXWNSRAZITA-UHFFFAOYSA-N
MW354.54 g/mol
LogP6.03
Rot. Bonds2

About 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane

1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane (PubChem CID 144506946) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane.

Molecular Properties

Compound Name1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
PubChem CID144506946
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
SMILESC=C(C)c1cc(C)cc(C)c1N.CC.CC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C11H15N.C10H13NO.C2H6/c1-7(2)10-6-8(3)5-9(4)11(10)12;1-6-4-7(2)10(11)9(5-6)8(3)12;1-2/h5-6H,1,12H2,2-4H3;4-5H,11H2,1-3H3;1-2H3
InChIKeyLUXNXWNSRAZITA-UHFFFAOYSA-N
XLogP6.03
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
ethane;1-(2,3,5-trimethylphenyl)ethanone
CID 145375991
1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone
CID 143019246
1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one
CID 10797797
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
1-[2-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131296470
2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
CID 145154814
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene
CID 145238081
2,4-dimethyl-6-penta-1,4-dien-2-ylaniline;2,4,6-trimethylaniline
CID 144506951
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone
CID 70302407

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane?
The IUPAC name of 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane (CID 144506946) is 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane.
What is the SMILES notation for 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane?
The canonical SMILES for 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane is C=C(C)c1cc(C)cc(C)c1N.CC.CC(=O)c1cc(C)cc(C)c1N.
What is the InChIKey of 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane?
The InChIKey is LUXNXWNSRAZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C10H13NO.C2H6/c1-7(2)10-6-8(3)5-9(4)11(10)12;1-6-4-7(2)10(11)9(5-6)8(3)12;1-2/h5-6H,1,12H2,2-4H3;4-5H,11H2,1-3H3;1-2H3.
What are the key properties of 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane?
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane has a molecular weight of 354.54 g/mol, XLogP of 6.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane is sourced from PubChem (CID 144506946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).