1-[2-(methylideneamino)phenyl]ethanimine

C9H10N2 — CID 89114135

IUPAC1-[2-(methylideneamino)phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccccc1N=C
InChIInChI=1S/C9H10N2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,10H,2H2,1H3/b10-7+
InChIKeyOUMKHVVZOVGOHD-JXMROGBWSA-N
MW146.19 g/mol
LogP2.41
Rot. Bonds2

About 1-[2-(methylideneamino)phenyl]ethanimine

1-[2-(methylideneamino)phenyl]ethanimine (PubChem CID 89114135) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-[2-(methylideneamino)phenyl]ethanimine.

Molecular Properties

Compound Name1-[2-(methylideneamino)phenyl]ethanimine
PubChem CID89114135
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-[2-(methylideneamino)phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccccc1N=C
InChIInChI=1S/C9H10N2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,10H,2H2,1H3/b10-7+
InChIKeyOUMKHVVZOVGOHD-JXMROGBWSA-N
XLogP2.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
N-[2-(1-chloroethenyl)phenyl]methanimine
CID 123453990
1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine
CID 153401822
1-(2-methoxyphenyl)ethanimine
CID 154457857
2-ethanimidoylbenzonitrile
CID 166811885
ethylbenzene;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 144705289
1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
butane;1-(2,3-dimethylphenyl)ethanimine
CID 177029537
1-[2-(ethylamino)-3-(methylideneamino)phenyl]ethanone
CID 143203841
ethane;1-phenylethanimine
CID 91121262
N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine
CID 139968797
1-[2-(3-phenylphenyl)phenyl]ethanimine
CID 170152317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylideneamino)phenyl]ethanimine?
The IUPAC name of 1-[2-(methylideneamino)phenyl]ethanimine (CID 89114135) is 1-[2-(methylideneamino)phenyl]ethanimine.
What is the SMILES notation for 1-[2-(methylideneamino)phenyl]ethanimine?
The canonical SMILES for 1-[2-(methylideneamino)phenyl]ethanimine is [H]/N=C(\C)c1ccccc1N=C.
What is the InChIKey of 1-[2-(methylideneamino)phenyl]ethanimine?
The InChIKey is OUMKHVVZOVGOHD-JXMROGBWSA-N. The full InChI is InChI=1S/C9H10N2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,10H,2H2,1H3/b10-7+.
What are the key properties of 1-[2-(methylideneamino)phenyl]ethanimine?
1-[2-(methylideneamino)phenyl]ethanimine has a molecular weight of 146.19 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylideneamino)phenyl]ethanimine is sourced from PubChem (CID 89114135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).