2-(ethyliminomethyl)aniline

C9H12N2 — CID 55289116

IUPAC2-(ethyliminomethyl)aniline
SMILESCC/N=C/c1ccccc1N
InChIInChI=1S/C9H12N2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-7H,2,10H2,1H3/b11-7+
InChIKeyYTYQBLQXDORUEA-YRNVUSSQSA-N
MW148.21 g/mol
LogP1.71
Rot. Bonds2

About 2-(ethyliminomethyl)aniline

2-(ethyliminomethyl)aniline (PubChem CID 55289116) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(ethyliminomethyl)aniline.

Molecular Properties

Compound Name2-(ethyliminomethyl)aniline
PubChem CID55289116
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(ethyliminomethyl)aniline
SMILESCC/N=C/c1ccccc1N
InChIInChI=1S/C9H12N2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-7H,2,10H2,1H3/b11-7+
InChIKeyYTYQBLQXDORUEA-YRNVUSSQSA-N
XLogP1.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-1-(2-methylphenyl)methanimine
CID 177332542
2-[(E)-methoxyiminomethyl]aniline
CID 13163169
2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 10424878
2-[(2-aminophenyl)methylideneamino]propanoic acid
CID 170755961
(2-aminophenyl)methylidenetungsten
CID 20722813
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520
2-(2,2-diphenylethenyl)aniline
CID 18963673
2-(3-aminoprop-1-enyl)aniline
CID 67152713
2-aminobenzaldehyde;ethane-1,2-diamine;nickel
CID 87671040
3-(ethyliminomethyl)-1-methyl-5-phenylpyrrol-2-ol
CID 135780343
N-ethyl-1-(2-ethyl-1-methylpyrrol-3-yl)methanimine
CID 171512075

Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethyl)aniline?
The IUPAC name of 2-(ethyliminomethyl)aniline (CID 55289116) is 2-(ethyliminomethyl)aniline.
What is the SMILES notation for 2-(ethyliminomethyl)aniline?
The canonical SMILES for 2-(ethyliminomethyl)aniline is CC/N=C/c1ccccc1N.
What is the InChIKey of 2-(ethyliminomethyl)aniline?
The InChIKey is YTYQBLQXDORUEA-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-7H,2,10H2,1H3/b11-7+.
What are the key properties of 2-(ethyliminomethyl)aniline?
2-(ethyliminomethyl)aniline has a molecular weight of 148.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)aniline is sourced from PubChem (CID 55289116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).