4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline

C16H17NO2 — CID 11747202

IUPAC4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C\c2ccc(N)cc2)cc(OC)c1
InChIInChI=1S/C16H17NO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,17H2,1-2H3/b4-3-
InChIKeyLGVZJSLFOMGJOS-ARJAWSKDSA-N
MW255.32 g/mol
LogP3.46
Rot. Bonds4

About 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline

4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline (PubChem CID 11747202) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline
PubChem CID11747202
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C\c2ccc(N)cc2)cc(OC)c1
InChIInChI=1S/C16H17NO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,17H2,1-2H3/b4-3-
InChIKeyLGVZJSLFOMGJOS-ARJAWSKDSA-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

Dianisidine
CID 8411
5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 11988330
2,4-dimethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]aniline
CID 16090836
4-Amino-4'-methoxystilbene
CID 5376491
4-Amino-4'-methoxybiphenyl
CID 2759564
o-Dianisidine hydrochloride
CID 12309823
4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
(E)-4-(3,4,5-Trimethoxystyryl)aniline
CID 15696376
(E)-4-(3,5-Dimethoxystyryl)aniline
CID 18785180
4-[2-(2,5-Dimethoxyphenyl)vinyl]aniline
CID 5377410
AC-7739 free base
CID 9796936
Dimethyl-{4-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl}-amine
CID 15696370

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline (CID 11747202) is 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline is COc1cc(/C=C\c2ccc(N)cc2)cc(OC)c1.
What is the InChIKey of 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline?
The InChIKey is LGVZJSLFOMGJOS-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,17H2,1-2H3/b4-3-.
What are the key properties of 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline?
4-[(Z)-2-(3,5-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 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 11747202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).