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

C18H22ClNO2 — CID 163329632

IUPAC4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc(CNC2Cc3ccccc3C2)ccc1O.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-2-21-18-9-13(7-8-17(18)20)12-19-16-10-14-5-3-4-6-15(14)11-16;/h3-9,16,19-20H,2,10-12H2,1H3;1H
InChIKeyYJYBRVZNZQFPJE-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.47
Rot. Bonds5

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

4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride (PubChem CID 163329632) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride
PubChem CID163329632
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc(CNC2Cc3ccccc3C2)ccc1O.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-2-21-18-9-13(7-8-17(18)20)12-19-16-10-14-5-3-4-6-15(14)11-16;/h3-9,16,19-20H,2,10-12H2,1H3;1H
InChIKeyYJYBRVZNZQFPJE-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 155509277
4-[(3-ethoxy-4-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054528
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol;formic acid
CID 155940077
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
CID 103656733

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride (CID 163329632) is 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride is CCOc1cc(CNC2Cc3ccccc3C2)ccc1O.Cl.
What is the InChIKey of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride?
The InChIKey is YJYBRVZNZQFPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-2-21-18-9-13(7-8-17(18)20)12-19-16-10-14-5-3-4-6-15(14)11-16;/h3-9,16,19-20H,2,10-12H2,1H3;1H.
What are the key properties of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride?
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.47, 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-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride is sourced from PubChem (CID 163329632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).