4-ethoxy-N-ethyl-3,5-dimethoxyaniline

C12H19NO3 — CID 23620608

IUPAC4-ethoxy-N-ethyl-3,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(OCC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-5-13-9-7-10(14-3)12(16-6-2)11(8-9)15-4/h7-8,13H,5-6H2,1-4H3
InChIKeyWIZRILFBRUOAMZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.53
Rot. Bonds6

About 4-ethoxy-N-ethyl-3,5-dimethoxyaniline

4-ethoxy-N-ethyl-3,5-dimethoxyaniline (PubChem CID 23620608) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-3,5-dimethoxyaniline.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-3,5-dimethoxyaniline
PubChem CID23620608
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-ethoxy-N-ethyl-3,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(OCC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-5-13-9-7-10(14-3)12(16-6-2)11(8-9)15-4/h7-8,13H,5-6H2,1-4H3
InChIKeyWIZRILFBRUOAMZ-UHFFFAOYSA-N
XLogP2.53
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-fluoro-3,5-dimethoxyaniline
CID 10943484
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
CID 13304013
3-bromo-4-ethoxy-5-methoxy-N-propan-2-ylaniline
CID 83953305
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43516566
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
1-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128562
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 39386959

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-3,5-dimethoxyaniline?
The IUPAC name of 4-ethoxy-N-ethyl-3,5-dimethoxyaniline (CID 23620608) is 4-ethoxy-N-ethyl-3,5-dimethoxyaniline.
What is the SMILES notation for 4-ethoxy-N-ethyl-3,5-dimethoxyaniline?
The canonical SMILES for 4-ethoxy-N-ethyl-3,5-dimethoxyaniline is CCNc1cc(OC)c(OCC)c(OC)c1.
What is the InChIKey of 4-ethoxy-N-ethyl-3,5-dimethoxyaniline?
The InChIKey is WIZRILFBRUOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-13-9-7-10(14-3)12(16-6-2)11(8-9)15-4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 4-ethoxy-N-ethyl-3,5-dimethoxyaniline?
4-ethoxy-N-ethyl-3,5-dimethoxyaniline has a molecular weight of 225.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-3,5-dimethoxyaniline is sourced from PubChem (CID 23620608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).