1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol

C19H23NO2 — CID 69234284

IUPAC1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
SMILESCCc1ccccc1OC1c2ccccc2CC1(O)CNC
InChIInChI=1S/C19H23NO2/c1-3-14-8-5-7-11-17(14)22-18-16-10-6-4-9-15(16)12-19(18,21)13-20-2/h4-11,18,20-21H,3,12-13H2,1-2H3
InChIKeyOOXPOUDWMPWCQG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol

1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol (PubChem CID 69234284) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
PubChem CID69234284
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
SMILESCCc1ccccc1OC1c2ccccc2CC1(O)CNC
InChIInChI=1S/C19H23NO2/c1-3-14-8-5-7-11-17(14)22-18-16-10-6-4-9-15(16)12-19(18,21)13-20-2/h4-11,18,20-21H,3,12-13H2,1-2H3
InChIKeyOOXPOUDWMPWCQG-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one
CID 66368471
1-[(3S,4S)-4-(2-ethenylphenoxy)-3,4-dihydro-2H-chromen-3-yl]-N-methylmethanamine;1-[(3S,4S)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen-3-yl]-N-methylmethanamine
CID 158513899
1-[2-fluoro-1-(2-fluorophenoxy)-5-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
CID 69220653
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648693
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
1-[2-fluoro-1-(3-fluoro-2-methylphenoxy)-6-methyl-1,3-dihydroinden-2-yl]-N-methylmethanamine
CID 69223554
1-(3-bromocyclobutyl)oxy-2-ethylbenzene
CID 66344081
1-[1-(2-ethylphenyl)cyclopropyl]-N-methylmethanamine
CID 105425246
1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene
CID 66344287

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol (CID 69234284) is 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol is CCc1ccccc1OC1c2ccccc2CC1(O)CNC.
What is the InChIKey of 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
The InChIKey is OOXPOUDWMPWCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-14-8-5-7-11-17(14)22-18-16-10-6-4-9-15(16)12-19(18,21)13-20-2/h4-11,18,20-21H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol has a molecular weight of 297.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 69234284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).