ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine

C16H32N2O — CID 176566491

IUPACethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
SMILESCC.CC.CN.[H]/N=C(\C)c1ccc(C)cc1OCC
InChIInChI=1S/C11H15NO.2C2H6.CH5N/c1-4-13-11-7-8(2)5-6-10(11)9(3)12;3*1-2/h5-7,12H,4H2,1-3H3;2*1-2H3;2H2,1H3/b12-9+;;;
InChIKeyIFCAHYIYQVGFDW-MRPQEHAPSA-N
MW268.44 g/mol
LogP4.41
Rot. Bonds3

About ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine

ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine (PubChem CID 176566491) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine.

Molecular Properties

Compound Nameethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
PubChem CID176566491
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Nameethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
SMILESCC.CC.CN.[H]/N=C(\C)c1ccc(C)cc1OCC
InChIInChI=1S/C11H15NO.2C2H6.CH5N/c1-4-13-11-7-8(2)5-6-10(11)9(3)12;3*1-2/h5-7,12H,4H2,1-3H3;2*1-2H3;2H2,1H3/b12-9+;;;
InChIKeyIFCAHYIYQVGFDW-MRPQEHAPSA-N
XLogP4.41
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
1-(2-ethoxy-5-methylphenyl)prop-1-ene-1,2-dithiol
CID 72543160
4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 62308690
4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 62306797
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine?
The IUPAC name of ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine (CID 176566491) is ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine.
What is the SMILES notation for ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine?
The canonical SMILES for ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine is CC.CC.CN.[H]/N=C(\C)c1ccc(C)cc1OCC.
What is the InChIKey of ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine?
The InChIKey is IFCAHYIYQVGFDW-MRPQEHAPSA-N. The full InChI is InChI=1S/C11H15NO.2C2H6.CH5N/c1-4-13-11-7-8(2)5-6-10(11)9(3)12;3*1-2/h5-7,12H,4H2,1-3H3;2*1-2H3;2H2,1H3/b12-9+;;;.
What are the key properties of ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine?
ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine has a molecular weight of 268.44 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine is sourced from PubChem (CID 176566491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).