1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol

C23H25NO4 — CID 18153416

IUPAC1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCN(CC(O)COc1ccc2ccccc2c1)CC1COc2ccccc2O1
InChIInChI=1S/C23H25NO4/c1-24(14-21-16-27-22-8-4-5-9-23(22)28-21)13-19(25)15-26-20-11-10-17-6-2-3-7-18(17)12-20/h2-12,19,21,25H,13-16H2,1H3
InChIKeyCMEYGBAPIDVUSG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.35
Rot. Bonds7

About 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol

1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 18153416) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID18153416
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCN(CC(O)COc1ccc2ccccc2c1)CC1COc2ccccc2O1
InChIInChI=1S/C23H25NO4/c1-24(14-21-16-27-22-8-4-5-9-23(22)28-21)13-19(25)15-26-20-11-10-17-6-2-3-7-18(17)12-20/h2-12,19,21,25H,13-16H2,1H3
InChIKeyCMEYGBAPIDVUSG-UHFFFAOYSA-N
XLogP3.35
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 2086427
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-methylpropan-1-amine
CID 59144891
1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol
CID 3068438
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 16553388
N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate
CID 3104968
N-[bis(4-methoxyphenyl)methyl]-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]acetamide
CID 55387510
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 51873142
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol (CID 18153416) is 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol is CN(CC(O)COc1ccc2ccccc2c1)CC1COc2ccccc2O1.
What is the InChIKey of 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is CMEYGBAPIDVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-24(14-21-16-27-22-8-4-5-9-23(22)28-21)13-19(25)15-26-20-11-10-17-6-2-3-7-18(17)12-20/h2-12,19,21,25H,13-16H2,1H3.
What are the key properties of 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 379.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 18153416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).