5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline

C17H22N2O2 — CID 82183962

IUPAC5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
SMILESCCN(Cc1cc(N)c(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-19(14-8-6-5-7-9-14)12-13-10-15(18)17(21-3)16(11-13)20-2/h5-11H,4,12,18H2,1-3H3
InChIKeyBECAMNFFCUFVHC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.31
Rot. Bonds6

About 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline

5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline (PubChem CID 82183962) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline.

Molecular Properties

Compound Name5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
PubChem CID82183962
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
SMILESCCN(Cc1cc(N)c(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-19(14-8-6-5-7-9-14)12-13-10-15(18)17(21-3)16(11-13)20-2/h5-11H,4,12,18H2,1-3H3
InChIKeyBECAMNFFCUFVHC-UHFFFAOYSA-N
XLogP3.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline?
The IUPAC name of 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline (CID 82183962) is 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline.
What is the SMILES notation for 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline?
The canonical SMILES for 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline is CCN(Cc1cc(N)c(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline?
The InChIKey is BECAMNFFCUFVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-19(14-8-6-5-7-9-14)12-13-10-15(18)17(21-3)16(11-13)20-2/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline?
5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline has a molecular weight of 286.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline is sourced from PubChem (CID 82183962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).