2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride

C21H28ClNO2 — CID 119017770

IUPAC2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride
SMILESCCN(CC)CCOC(Cc1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-3-22(4-2)15-16-24-20(17-18-11-7-5-8-12-18)21(23)19-13-9-6-10-14-19;/h5-14,20H,3-4,15-17H2,1-2H3;1H
InChIKeyWFCPIBKTDAAALD-UHFFFAOYSA-N
MW361.91 g/mol
LogP4.26
Rot. Bonds10

About 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride

2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride (PubChem CID 119017770) has the molecular formula C21H28ClNO2 and a molecular weight of 361.91 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride
PubChem CID119017770
Molecular FormulaC21H28ClNO2
Molecular Weight361.91 g/mol
Exact Mass361.18
IUPAC Name2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride
SMILESCCN(CC)CCOC(Cc1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-3-22(4-2)15-16-24-20(17-18-11-7-5-8-12-18)21(23)19-13-9-6-10-14-19;/h5-14,20H,3-4,15-17H2,1-2H3;1H
InChIKeyWFCPIBKTDAAALD-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride (CID 119017770) is 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride is CCN(CC)CCOC(Cc1ccccc1)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride?
The InChIKey is WFCPIBKTDAAALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2.ClH/c1-3-22(4-2)15-16-24-20(17-18-11-7-5-8-12-18)21(23)19-13-9-6-10-14-19;/h5-14,20H,3-4,15-17H2,1-2H3;1H.
What are the key properties of 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride?
2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-1,3-diphenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119017770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).