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

C18H21NO — CID 107684988

IUPAC1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCN(c1ccc(C)cc1)C1CCc2cc(O)ccc21
InChIInChI=1S/C18H21NO/c1-3-19(15-7-4-13(2)5-8-15)18-11-6-14-12-16(20)9-10-17(14)18/h4-5,7-10,12,18,20H,3,6,11H2,1-2H3
InChIKeyVFUUOHNRYQLJLR-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.21
Rot. Bonds3

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

1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107684988) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107684988
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCN(c1ccc(C)cc1)C1CCc2cc(O)ccc21
InChIInChI=1S/C18H21NO/c1-3-19(15-7-4-13(2)5-8-15)18-11-6-14-12-16(20)9-10-17(14)18/h4-5,7-10,12,18,20H,3,6,11H2,1-2H3
InChIKeyVFUUOHNRYQLJLR-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684963
1-(N-ethyl-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684917
1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684984
1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107684994
1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685117
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685102
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 82982103
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 145379970
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 107685011
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107684988) is 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol is CCN(c1ccc(C)cc1)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is VFUUOHNRYQLJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-19(15-7-4-13(2)5-8-15)18-11-6-14-12-16(20)9-10-17(14)18/h4-5,7-10,12,18,20H,3,6,11H2,1-2H3.
What are the key properties of 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 267.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107684988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).