4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline

C14H24N2O3 — CID 123210797

IUPAC4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline
SMILESCCOCC(CNC)Oc1cc(OC)c(N)cc1C
InChIInChI=1S/C14H24N2O3/c1-5-18-9-11(8-16-3)19-13-7-14(17-4)12(15)6-10(13)2/h6-7,11,16H,5,8-9,15H2,1-4H3
InChIKeyASGKWGLAOXSREN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.59
Rot. Bonds8

About 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline

4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline (PubChem CID 123210797) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline
PubChem CID123210797
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline
SMILESCCOCC(CNC)Oc1cc(OC)c(N)cc1C
InChIInChI=1S/C14H24N2O3/c1-5-18-9-11(8-16-3)19-13-7-14(17-4)12(15)6-10(13)2/h6-7,11,16H,5,8-9,15H2,1-4H3
InChIKeyASGKWGLAOXSREN-UHFFFAOYSA-N
XLogP1.59
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline?
The IUPAC name of 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline (CID 123210797) is 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline?
The canonical SMILES for 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline is CCOCC(CNC)Oc1cc(OC)c(N)cc1C.
What is the InChIKey of 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline?
The InChIKey is ASGKWGLAOXSREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-18-9-11(8-16-3)19-13-7-14(17-4)12(15)6-10(13)2/h6-7,11,16H,5,8-9,15H2,1-4H3.
What are the key properties of 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline?
4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline has a molecular weight of 268.36 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethoxy-3-(methylamino)propan-2-yl]oxy-2-methoxy-5-methylaniline is sourced from PubChem (CID 123210797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).