2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline

C14H17NO2 — CID 10904751

IUPAC2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline
SMILESCOc1cc(OC)c(N)c(C2C=CC=CC2)c1
InChIInChI=1S/C14H17NO2/c1-16-11-8-12(10-6-4-3-5-7-10)14(15)13(9-11)17-2/h3-6,8-10H,7,15H2,1-2H3
InChIKeyJTRQADFAYVEEAT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.89
Rot. Bonds3

About 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline

2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline (PubChem CID 10904751) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline
PubChem CID10904751
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline
SMILESCOc1cc(OC)c(N)c(C2C=CC=CC2)c1
InChIInChI=1S/C14H17NO2/c1-16-11-8-12(10-6-4-3-5-7-10)14(15)13(9-11)17-2/h3-6,8-10H,7,15H2,1-2H3
InChIKeyJTRQADFAYVEEAT-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline (CID 10904751) is 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline is COc1cc(OC)c(N)c(C2C=CC=CC2)c1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline?
The InChIKey is JTRQADFAYVEEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-11-8-12(10-6-4-3-5-7-10)14(15)13(9-11)17-2/h3-6,8-10H,7,15H2,1-2H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline?
2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline has a molecular weight of 231.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxyaniline is sourced from PubChem (CID 10904751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).