3-(1-methoxyethenyl)aniline

C9H11NO — CID 89340134

IUPAC3-(1-methoxyethenyl)aniline
SMILESC=C(OC)c1cccc(N)c1
InChIInChI=1S/C9H11NO/c1-7(11-2)8-4-3-5-9(10)6-8/h3-6H,1,10H2,2H3
InChIKeyBMYJDVDRDWRBIF-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.89
Rot. Bonds2

About 3-(1-methoxyethenyl)aniline

3-(1-methoxyethenyl)aniline (PubChem CID 89340134) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-(1-methoxyethenyl)aniline.

Molecular Properties

Compound Name3-(1-methoxyethenyl)aniline
PubChem CID89340134
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-(1-methoxyethenyl)aniline
SMILESC=C(OC)c1cccc(N)c1
InChIInChI=1S/C9H11NO/c1-7(11-2)8-4-3-5-9(10)6-8/h3-6H,1,10H2,2H3
InChIKeyBMYJDVDRDWRBIF-UHFFFAOYSA-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

1-cyclopropyloxy-3-(1-methoxyethenyl)benzene
CID 70286817
methyl 3-aminobenzoate;1,2-xylene
CID 174602460
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
(3-aminobenzoyl)azanium
CID 142343873
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
[amino-(3-aminophenyl)methylidene]azanium
CID 6931095
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
2-(1-methoxyethenyl)pyridin-4-amine
CID 177218237
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
CID 66966592

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethenyl)aniline?
The IUPAC name of 3-(1-methoxyethenyl)aniline (CID 89340134) is 3-(1-methoxyethenyl)aniline.
What is the SMILES notation for 3-(1-methoxyethenyl)aniline?
The canonical SMILES for 3-(1-methoxyethenyl)aniline is C=C(OC)c1cccc(N)c1.
What is the InChIKey of 3-(1-methoxyethenyl)aniline?
The InChIKey is BMYJDVDRDWRBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7(11-2)8-4-3-5-9(10)6-8/h3-6H,1,10H2,2H3.
What are the key properties of 3-(1-methoxyethenyl)aniline?
3-(1-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-(1-methoxyethenyl)aniline is sourced from PubChem (CID 89340134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).