1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride

C19H26ClNO2 — CID 16798625

IUPAC1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-3-20(4-2)14-18(21)15-22-19-12-10-17(11-13-19)16-8-6-5-7-9-16;/h5-13,18,21H,3-4,14-15H2,1-2H3;1H
InChIKeyGVCOYJJSWWNGOU-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.86
Rot. Bonds8

About 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride

1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride (PubChem CID 16798625) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
PubChem CID16798625
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-3-20(4-2)14-18(21)15-22-19-12-10-17(11-13-19)16-8-6-5-7-9-16;/h5-13,18,21H,3-4,14-15H2,1-2H3;1H
InChIKeyGVCOYJJSWWNGOU-UHFFFAOYSA-N
XLogP3.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride (CID 16798625) is 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride is CCN(CC)CC(O)COc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is GVCOYJJSWWNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-3-20(4-2)14-18(21)15-22-19-12-10-17(11-13-19)16-8-6-5-7-9-16;/h5-13,18,21H,3-4,14-15H2,1-2H3;1H.
What are the key properties of 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 16798625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).