1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C20H28ClNO2 — CID 51063228

IUPAC1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-16(2)21-13-19(22)14-23-15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,16,19-22H,13-15H2,1-2H3;1H
InChIKeyADBZDGOMOXJRGO-UHFFFAOYSA-N
MW349.90 g/mol
LogP3.62
Rot. Bonds9

About 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 51063228) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID51063228
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-16(2)21-13-19(22)14-23-15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,16,19-22H,13-15H2,1-2H3;1H
InChIKeyADBZDGOMOXJRGO-UHFFFAOYSA-N
XLogP3.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14223890
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 92836389
1-phenyl-3-(propan-2-ylamino)propane-1,2-diol
CID 71346465
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 51063228) is 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COCC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is ADBZDGOMOXJRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-16(2)21-13-19(22)14-23-15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,16,19-22H,13-15H2,1-2H3;1H.
What are the key properties of 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 51063228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).