3-[(4-ethenylphenyl)methoxy]-N-phenylaniline

C21H19NO — CID 22052676

IUPAC3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
SMILESC=Cc1ccc(COc2cccc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19NO/c1-2-17-11-13-18(14-12-17)16-23-21-10-6-9-20(15-21)22-19-7-4-3-5-8-19/h2-15,22H,1,16H2
InChIKeyHNTDSYJBQRDWBW-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.65
Rot. Bonds6

About 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline

3-[(4-ethenylphenyl)methoxy]-N-phenylaniline (PubChem CID 22052676) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
PubChem CID22052676
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
SMILESC=Cc1ccc(COc2cccc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19NO/c1-2-17-11-13-18(14-12-17)16-23-21-10-6-9-20(15-21)22-19-7-4-3-5-8-19/h2-15,22H,1,16H2
InChIKeyHNTDSYJBQRDWBW-UHFFFAOYSA-N
XLogP5.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
3-[(4-ethenylphenyl)methoxy]benzoic acid
CID 168678013
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-benzyl-3-phenylmethoxyaniline
CID 54801332
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
N-phenyl-3-propoxyaniline
CID 71334741
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline?
The IUPAC name of 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline (CID 22052676) is 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline.
What is the SMILES notation for 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline?
The canonical SMILES for 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline is C=Cc1ccc(COc2cccc(Nc3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline?
The InChIKey is HNTDSYJBQRDWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-2-17-11-13-18(14-12-17)16-23-21-10-6-9-20(15-21)22-19-7-4-3-5-8-19/h2-15,22H,1,16H2.
What are the key properties of 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline?
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline has a molecular weight of 301.39 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methoxy]-N-phenylaniline is sourced from PubChem (CID 22052676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).