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

C18H21NO4 — CID 53415045

IUPAC2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C18H21NO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,19H2,1-4H3
InChIKeyQSAMWSFELUCKOA-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.47
Rot. Bonds6

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

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 53415045) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID53415045
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C18H21NO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,19H2,1-4H3
InChIKeyQSAMWSFELUCKOA-UHFFFAOYSA-N
XLogP3.47
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317
N-(3-amino-4-methoxyphenyl)sulfanyl-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072245
2-methoxy-5-[(E)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]aniline;hydrochloride
CID 25131182
(E)-3-(3-amino-4-methoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359458
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-prop-1-enylaniline
CID 853489
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
(E)-3-(3-amino-4-methoxyphenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359428
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
(2R)-2,6-diaminohexanamide;2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 67567560

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 53415045) is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is QSAMWSFELUCKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,19H2,1-4H3.
What are the key properties of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline has a molecular weight of 315.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 53415045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).