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

C18H21NO — CID 107684963

IUPAC1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCN(c1cccc(C)c1)C1CCc2cc(O)ccc21
InChIInChI=1S/C18H21NO/c1-3-19(15-6-4-5-13(2)11-15)18-10-7-14-12-16(20)8-9-17(14)18/h4-6,8-9,11-12,18,20H,3,7,10H2,1-2H3
InChIKeyPEPRLAQDRDVUDH-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.21
Rot. Bonds3

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

1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107684963) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107684963
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCN(c1cccc(C)c1)C1CCc2cc(O)ccc21
InChIInChI=1S/C18H21NO/c1-3-19(15-6-4-5-13(2)11-15)18-10-7-14-12-16(20)8-9-17(14)18/h4-6,8-9,11-12,18,20H,3,7,10H2,1-2H3
InChIKeyPEPRLAQDRDVUDH-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

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Related Compounds

1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684988
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 82982103
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
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685102
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
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

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107684963) is 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol is CCN(c1cccc(C)c1)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is PEPRLAQDRDVUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-19(15-6-4-5-13(2)11-15)18-10-7-14-12-16(20)8-9-17(14)18/h4-6,8-9,11-12,18,20H,3,7,10H2,1-2H3.
What are the key properties of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(N-ethyl-3-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-3-methylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107684963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).