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

C18H21NO — CID 82982103

IUPAC1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
SMILESCCN(c1cccc(C)c1)C1CCc2c(O)cccc21
InChIInChI=1S/C18H21NO/c1-3-19(14-7-4-6-13(2)12-14)17-11-10-16-15(17)8-5-9-18(16)20/h4-9,12,17,20H,3,10-11H2,1-2H3
InChIKeyCTGKFFCMFOPNHN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.21
Rot. Bonds3

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

1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 82982103) 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-4-ol.

Molecular Properties

Compound Name1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID82982103
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
SMILESCCN(c1cccc(C)c1)C1CCc2c(O)cccc21
InChIInChI=1S/C18H21NO/c1-3-19(14-7-4-6-13(2)12-14)17-11-10-16-15(17)8-5-9-18(16)20/h4-9,12,17,20H,3,10-11H2,1-2H3
InChIKeyCTGKFFCMFOPNHN-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-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684963
1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82976934
1-(dimethylamino)-2,3-dihydro-1H-inden-4-ol
CID 11789767
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684988
4-(N-ethyl-3-methylanilino)-1,1-dioxothiolan-3-ol
CID 61104727
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82986564
3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine
CID 79467781
1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82977970
1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82982761
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
CID 63404368

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol (CID 82982103) is 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol is CCN(c1cccc(C)c1)C1CCc2c(O)cccc21.
What is the InChIKey of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is CTGKFFCMFOPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-19(14-7-4-6-13(2)12-14)17-11-10-16-15(17)8-5-9-18(16)20/h4-9,12,17,20H,3,10-11H2,1-2H3.
What are the key properties of 1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-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-4-ol is sourced from PubChem (CID 82982103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).