1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride

C17H24ClNO2 — CID 2769832

IUPAC1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COc1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-3-18(4-2)12-16(19)13-20-17-10-9-14-7-5-6-8-15(14)11-17;/h5-11,16,19H,3-4,12-13H2,1-2H3;1H
InChIKeyWTDAZCXOEAOANW-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.34
Rot. Bonds7

About 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride

1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride (PubChem CID 2769832) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
PubChem CID2769832
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COc1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-3-18(4-2)12-16(19)13-20-17-10-9-14-7-5-6-8-15(14)11-17;/h5-11,16,19H,3-4,12-13H2,1-2H3;1H
InChIKeyWTDAZCXOEAOANW-UHFFFAOYSA-N
XLogP3.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1368771
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 45124676
N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate
CID 3104968
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-naphthalen-2-yloxypropan-2-ol
CID 2793897

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride (CID 2769832) is 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride is CCN(CC)CC(O)COc1ccc2ccccc2c1.Cl.
What is the InChIKey of 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is WTDAZCXOEAOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2.ClH/c1-3-18(4-2)12-16(19)13-20-17-10-9-14-7-5-6-8-15(14)11-17;/h5-11,16,19H,3-4,12-13H2,1-2H3;1H.
What are the key properties of 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2769832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).