2-[(Z)-2-methoxy-2-phenylethenyl]aniline

C15H15NO — CID 70402722

IUPAC2-[(Z)-2-methoxy-2-phenylethenyl]aniline
SMILESCO/C(=C\c1ccccc1N)c1ccccc1
InChIInChI=1S/C15H15NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16/h2-11H,16H2,1H3/b15-11-
InChIKeyMAKMDLQMGPOFDM-PTNGSMBKSA-N
MW225.29 g/mol
LogP3.41
Rot. Bonds3

About 2-[(Z)-2-methoxy-2-phenylethenyl]aniline

2-[(Z)-2-methoxy-2-phenylethenyl]aniline (PubChem CID 70402722) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(Z)-2-methoxy-2-phenylethenyl]aniline.

Molecular Properties

Compound Name2-[(Z)-2-methoxy-2-phenylethenyl]aniline
PubChem CID70402722
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-[(Z)-2-methoxy-2-phenylethenyl]aniline
SMILESCO/C(=C\c1ccccc1N)c1ccccc1
InChIInChI=1S/C15H15NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16/h2-11H,16H2,1H3/b15-11-
InChIKeyMAKMDLQMGPOFDM-PTNGSMBKSA-N
XLogP3.41
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 ≤ 53.41
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-diphenylethenyl)aniline
CID 18963673
1-methoxybut-1-enylbenzene
CID 69305429
2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole
CID 3800099
methyl (2Z)-2-[(2-aminophenyl)methylidene]-4,4,4-trihydroxy-3-oxobutanoate
CID 163765172
methyl (E)-3-(2-aminophenyl)-2-(3-fluorophenyl)prop-2-enoate
CID 10852277
(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine
CID 163923579
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
(1-methoxy-2-phenoxyethenyl)benzene
CID 164530223
(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid
CID 95564600
ethane;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
ethyl (E)-4-(2-aminophenyl)-3-methylbut-3-enoate
CID 163683237
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-methoxy-2-phenylethenyl]aniline?
The IUPAC name of 2-[(Z)-2-methoxy-2-phenylethenyl]aniline (CID 70402722) is 2-[(Z)-2-methoxy-2-phenylethenyl]aniline.
What is the SMILES notation for 2-[(Z)-2-methoxy-2-phenylethenyl]aniline?
The canonical SMILES for 2-[(Z)-2-methoxy-2-phenylethenyl]aniline is CO/C(=C\c1ccccc1N)c1ccccc1.
What is the InChIKey of 2-[(Z)-2-methoxy-2-phenylethenyl]aniline?
The InChIKey is MAKMDLQMGPOFDM-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H15NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16/h2-11H,16H2,1H3/b15-11-.
What are the key properties of 2-[(Z)-2-methoxy-2-phenylethenyl]aniline?
2-[(Z)-2-methoxy-2-phenylethenyl]aniline has a molecular weight of 225.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methoxy-2-phenylethenyl]aniline is sourced from PubChem (CID 70402722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).