4-methoxy-2-(1-phenylethenyl)aniline

C15H15NO — CID 11117717

IUPAC4-methoxy-2-(1-phenylethenyl)aniline
SMILESC=C(c1ccccc1)c1cc(OC)ccc1N
InChIInChI=1S/C15H15NO/c1-11(12-6-4-3-5-7-12)14-10-13(17-2)8-9-15(14)16/h3-10H,1,16H2,2H3
InChIKeyZXUGLHFZUHNLQN-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.34
Rot. Bonds3

About 4-methoxy-2-(1-phenylethenyl)aniline

4-methoxy-2-(1-phenylethenyl)aniline (PubChem CID 11117717) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methoxy-2-(1-phenylethenyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(1-phenylethenyl)aniline
PubChem CID11117717
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-methoxy-2-(1-phenylethenyl)aniline
SMILESC=C(c1ccccc1)c1cc(OC)ccc1N
InChIInChI=1S/C15H15NO/c1-11(12-6-4-3-5-7-12)14-10-13(17-2)8-9-15(14)16/h3-10H,1,16H2,2H3
InChIKeyZXUGLHFZUHNLQN-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-phenylethenyl)aniline?
The IUPAC name of 4-methoxy-2-(1-phenylethenyl)aniline (CID 11117717) is 4-methoxy-2-(1-phenylethenyl)aniline.
What is the SMILES notation for 4-methoxy-2-(1-phenylethenyl)aniline?
The canonical SMILES for 4-methoxy-2-(1-phenylethenyl)aniline is C=C(c1ccccc1)c1cc(OC)ccc1N.
What is the InChIKey of 4-methoxy-2-(1-phenylethenyl)aniline?
The InChIKey is ZXUGLHFZUHNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11(12-6-4-3-5-7-12)14-10-13(17-2)8-9-15(14)16/h3-10H,1,16H2,2H3.
What are the key properties of 4-methoxy-2-(1-phenylethenyl)aniline?
4-methoxy-2-(1-phenylethenyl)aniline has a molecular weight of 225.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-phenylethenyl)aniline is sourced from PubChem (CID 11117717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).