2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine

C15H25NO2 — CID 64534403

IUPAC2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(OCC)cc1)C(C)OCC
InChIInChI=1S/C15H25NO2/c1-5-16-15(12(4)17-6-2)13-8-10-14(11-9-13)18-7-3/h8-12,15-16H,5-7H2,1-4H3
InChIKeyJVZAXGAAKFVDFX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds8

About 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine

2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine (PubChem CID 64534403) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
PubChem CID64534403
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(OCC)cc1)C(C)OCC
InChIInChI=1S/C15H25NO2/c1-5-16-15(12(4)17-6-2)13-8-10-14(11-9-13)18-7-3/h8-12,15-16H,5-7H2,1-4H3
InChIKeyJVZAXGAAKFVDFX-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine (CID 64534403) is 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine is CCNC(c1ccc(OCC)cc1)C(C)OCC.
What is the InChIKey of 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine?
The InChIKey is JVZAXGAAKFVDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-16-15(12(4)17-6-2)13-8-10-14(11-9-13)18-7-3/h8-12,15-16H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine?
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 64534403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).