3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol

C18H21NO2 — CID 107683685

IUPAC3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol
SMILESCCNC1CCc2cc(OCc3cccc(O)c3)ccc21
InChIInChI=1S/C18H21NO2/c1-2-19-18-9-6-14-11-16(7-8-17(14)18)21-12-13-4-3-5-15(20)10-13/h3-5,7-8,10-11,18-20H,2,6,9,12H2,1H3
InChIKeyHUQRJDONJIPFJF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds5

About 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol

3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol (PubChem CID 107683685) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol.

Molecular Properties

Compound Name3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol
PubChem CID107683685
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol
SMILESCCNC1CCc2cc(OCc3cccc(O)c3)ccc21
InChIInChI=1S/C18H21NO2/c1-2-19-18-9-6-14-11-16(7-8-17(14)18)21-12-13-4-3-5-15(20)10-13/h3-5,7-8,10-11,18-20H,2,6,9,12H2,1H3
InChIKeyHUQRJDONJIPFJF-UHFFFAOYSA-N
XLogP3.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-[(2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683619
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683611
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683654
5-[2-(diethylamino)ethoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683747
N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
CID 107683662
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
CID 107683817
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683580
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
CID 82849320
5-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683372

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol?
The IUPAC name of 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol (CID 107683685) is 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol.
What is the SMILES notation for 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol?
The canonical SMILES for 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol is CCNC1CCc2cc(OCc3cccc(O)c3)ccc21.
What is the InChIKey of 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol?
The InChIKey is HUQRJDONJIPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-19-18-9-6-14-11-16(7-8-17(14)18)21-12-13-4-3-5-15(20)10-13/h3-5,7-8,10-11,18-20H,2,6,9,12H2,1H3.
What are the key properties of 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol?
3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol is sourced from PubChem (CID 107683685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).