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

C19H23NO5 — CID 118495154

IUPAC2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(N)c1OC
InChIInChI=1S/C19H23NO5/c1-21-15-9-12(8-14(20)18(15)24-4)6-7-13-10-16(22-2)19(25-5)17(11-13)23-3/h6-11H,20H2,1-5H3/b7-6-
InChIKeyWPCPVJQPPFYFGP-SREVYHEPSA-N
MW345.40 g/mol
LogP3.48
Rot. Bonds7

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

2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 118495154) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID118495154
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(N)c1OC
InChIInChI=1S/C19H23NO5/c1-21-15-9-12(8-14(20)18(15)24-4)6-7-13-10-16(22-2)19(25-5)17(11-13)23-3/h6-11H,20H2,1-5H3/b7-6-
InChIKeyWPCPVJQPPFYFGP-SREVYHEPSA-N
XLogP3.48
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 118495154) is 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(N)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is WPCPVJQPPFYFGP-SREVYHEPSA-N. The full InChI is InChI=1S/C19H23NO5/c1-21-15-9-12(8-14(20)18(15)24-4)6-7-13-10-16(22-2)19(25-5)17(11-13)23-3/h6-11H,20H2,1-5H3/b7-6-.
What are the key properties of 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline has a molecular weight of 345.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 118495154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).