1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol

C18H21NO2 — CID 107682196

IUPAC1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCOc1ccc(NC2CCc3cc(O)ccc32)c(C)c1
InChIInChI=1S/C18H21NO2/c1-3-21-15-6-9-17(12(2)10-15)19-18-8-4-13-11-14(20)5-7-16(13)18/h5-7,9-11,18-20H,3-4,8H2,1-2H3
InChIKeyWXPHJAAOGILUJC-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol

1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682196) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682196
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCOc1ccc(NC2CCc3cc(O)ccc32)c(C)c1
InChIInChI=1S/C18H21NO2/c1-3-21-15-6-9-17(12(2)10-15)19-18-8-4-13-11-14(20)5-7-16(13)18/h5-7,9-11,18-20H,3-4,8H2,1-2H3
InChIKeyWXPHJAAOGILUJC-UHFFFAOYSA-N
XLogP4.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682735
1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682645
1-(3-propoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682035
1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682192
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735926
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
N-(4-ethoxy-2-methylphenyl)oxolan-3-amine
CID 63335587
N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530961

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682196) is 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol is CCOc1ccc(NC2CCc3cc(O)ccc32)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is WXPHJAAOGILUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-21-15-6-9-17(12(2)10-15)19-18-8-4-13-11-14(20)5-7-16(13)18/h5-7,9-11,18-20H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 283.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).