2-[(E)-methoxyiminomethyl]aniline

C8H10N2O — CID 13163169

IUPAC2-[(E)-methoxyiminomethyl]aniline
SMILESCO/N=C/c1ccccc1N
InChIInChI=1S/C8H10N2O/c1-11-10-6-7-4-2-3-5-8(7)9/h2-6H,9H2,1H3/b10-6+
InChIKeyPCCFZEKGUORCII-UXBLZVDNSA-N
MW150.18 g/mol
LogP1.25
Rot. Bonds2

About 2-[(E)-methoxyiminomethyl]aniline

2-[(E)-methoxyiminomethyl]aniline (PubChem CID 13163169) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[(E)-methoxyiminomethyl]aniline.

Molecular Properties

Compound Name2-[(E)-methoxyiminomethyl]aniline
PubChem CID13163169
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-[(E)-methoxyiminomethyl]aniline
SMILESCO/N=C/c1ccccc1N
InChIInChI=1S/C8H10N2O/c1-11-10-6-7-4-2-3-5-8(7)9/h2-6H,9H2,1H3/b10-6+
InChIKeyPCCFZEKGUORCII-UXBLZVDNSA-N
XLogP1.25
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethyliminomethyl)aniline
CID 55289116
3-chloro-2-[(Z)-methoxyiminomethyl]aniline
CID 59916365
(Z)-N-methoxy-2-[2-[(Z)-methoxyiminomethyl]phenyl]ethanimine
CID 101041658
N-methoxy-1-(2-propan-2-yloxyphenyl)methanimine
CID 73094502
2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid
CID 86749984
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
1-(1-benzothiophen-3-yl)-N-methoxymethanimine
CID 76609479
N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 173091972
S-[2-[(E)-methoxyiminomethyl]phenyl] N,N-dimethylcarbamothioate
CID 88689050
2-[(2-aminophenyl)methylideneamino]propanoic acid
CID 170755961
N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 173092310
2-[(Z)-2-methoxy-2-phenylethenyl]aniline
CID 70402722

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-methoxyiminomethyl]aniline?
The IUPAC name of 2-[(E)-methoxyiminomethyl]aniline (CID 13163169) is 2-[(E)-methoxyiminomethyl]aniline.
What is the SMILES notation for 2-[(E)-methoxyiminomethyl]aniline?
The canonical SMILES for 2-[(E)-methoxyiminomethyl]aniline is CO/N=C/c1ccccc1N.
What is the InChIKey of 2-[(E)-methoxyiminomethyl]aniline?
The InChIKey is PCCFZEKGUORCII-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H10N2O/c1-11-10-6-7-4-2-3-5-8(7)9/h2-6H,9H2,1H3/b10-6+.
What are the key properties of 2-[(E)-methoxyiminomethyl]aniline?
2-[(E)-methoxyiminomethyl]aniline has a molecular weight of 150.18 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-methoxyiminomethyl]aniline is sourced from PubChem (CID 13163169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).