4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol

C18H21NO2 — CID 784402

IUPAC4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2ccc3c(c2)CCC3)ccc1O
InChIInChI=1S/C18H21NO2/c1-2-21-18-10-13(6-9-17(18)20)12-19-16-8-7-14-4-3-5-15(14)11-16/h6-11,19-20H,2-5,12H2,1H3
InChIKeyILKAHUTVVHEAHQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.89
Rot. Bonds5

About 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol

4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol (PubChem CID 784402) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol
PubChem CID784402
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2ccc3c(c2)CCC3)ccc1O
InChIInChI=1S/C18H21NO2/c1-2-21-18-10-13(6-9-17(18)20)12-19-16-8-7-14-4-3-5-15(14)11-16/h6-11,19-20H,2-5,12H2,1H3
InChIKeyILKAHUTVVHEAHQ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 783893
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CID 784312
CID 784312
CID 784639
CID 784639
CID 2575996
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CID 162675740
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CID 141729764
CID 141729764
CID 162648797
CID 162648797
CID 775305
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CID 118282806
CID 118282806

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol (CID 784402) is 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol is CCOc1cc(CNc2ccc3c(c2)CCC3)ccc1O.
What is the InChIKey of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol?
The InChIKey is ILKAHUTVVHEAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-21-18-10-13(6-9-17(18)20)12-19-16-8-7-14-4-3-5-15(14)11-16/h6-11,19-20H,2-5,12H2,1H3.
What are the key properties of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol?
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol has a molecular weight of 283.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-ethoxyphenol is sourced from PubChem (CID 784402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).