3-[(E)-2-methoxyethenyl]aniline

C9H11NO — CID 71681260

IUPAC3-[(E)-2-methoxyethenyl]aniline
SMILESCO/C=C/c1cccc(N)c1
InChIInChI=1S/C9H11NO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,10H2,1H3/b6-5+
InChIKeyMHUHGVRBEYZXEK-AATRIKPKSA-N
MW149.19 g/mol
LogP1.89
Rot. Bonds2

About 3-[(E)-2-methoxyethenyl]aniline

3-[(E)-2-methoxyethenyl]aniline (PubChem CID 71681260) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-[(E)-2-methoxyethenyl]aniline.

Molecular Properties

Compound Name3-[(E)-2-methoxyethenyl]aniline
PubChem CID71681260
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-[(E)-2-methoxyethenyl]aniline
SMILESCO/C=C/c1cccc(N)c1
InChIInChI=1S/C9H11NO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,10H2,1H3/b6-5+
InChIKeyMHUHGVRBEYZXEK-AATRIKPKSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethenyl)phenol
CID 175460679
1-bromo-3-[(E)-2-methoxyethenyl]benzene
CID 67543608
1-bromo-3-[(Z)-2-methoxyethenyl]benzene
CID 172866620
ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
1-isocyano-3-[(E)-2-methoxyethenyl]benzene
CID 58423983
3-(2-methoxyethenyl)benzoic acid
CID 70467435
methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene
CID 67669903
3-[2-(2-methylphenyl)ethenyl]aniline
CID 86115385
3-methanimidoylaniline
CID 55281167
3-ethenylaniline;hydrochloride
CID 70700938
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methoxyethenyl]aniline?
The IUPAC name of 3-[(E)-2-methoxyethenyl]aniline (CID 71681260) is 3-[(E)-2-methoxyethenyl]aniline.
What is the SMILES notation for 3-[(E)-2-methoxyethenyl]aniline?
The canonical SMILES for 3-[(E)-2-methoxyethenyl]aniline is CO/C=C/c1cccc(N)c1.
What is the InChIKey of 3-[(E)-2-methoxyethenyl]aniline?
The InChIKey is MHUHGVRBEYZXEK-AATRIKPKSA-N. The full InChI is InChI=1S/C9H11NO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,10H2,1H3/b6-5+.
What are the key properties of 3-[(E)-2-methoxyethenyl]aniline?
3-[(E)-2-methoxyethenyl]aniline has a molecular weight of 149.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methoxyethenyl]aniline is sourced from PubChem (CID 71681260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).