2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline

C16H17NO2 — CID 71418980

IUPAC2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(C=Cc2ccccc2N)cc1OC
InChIInChI=1S/C16H17NO2/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-11H,17H2,1-2H3
InChIKeyCGEVVYVDYCFNAV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.46
Rot. Bonds4

About 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline

2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline (PubChem CID 71418980) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
PubChem CID71418980
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(C=Cc2ccccc2N)cc1OC
InChIInChI=1S/C16H17NO2/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-11H,17H2,1-2H3
InChIKeyCGEVVYVDYCFNAV-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine
CID 86013631
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
CID 21190809
(E)-3-(2-aminophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359897
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
(E)-3-(2-aminophenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197471
1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 154194561
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-prop-1-enylaniline
CID 853489
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline (CID 71418980) is 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline is COc1ccc(C=Cc2ccccc2N)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline?
The InChIKey is CGEVVYVDYCFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-11H,17H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline?
2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline has a molecular weight of 255.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 71418980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).