1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol

C18H21NO — CID 43189757

IUPAC1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1cccc(NC2CC(C)c3c(C)ccc(O)c32)c1
InChIInChI=1S/C18H21NO/c1-11-5-4-6-14(9-11)19-15-10-13(3)17-12(2)7-8-16(20)18(15)17/h4-9,13,15,19-20H,10H2,1-3H3
InChIKeyWSDHLMNMJCYQDE-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.67
Rot. Bonds2

About 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43189757) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43189757
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1cccc(NC2CC(C)c3c(C)ccc(O)c32)c1
InChIInChI=1S/C18H21NO/c1-11-5-4-6-14(9-11)19-15-10-13(3)17-12(2)7-8-16(20)18(15)17/h4-9,13,15,19-20H,10H2,1-3H3
InChIKeyWSDHLMNMJCYQDE-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dibromoanilino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 43736826
3-(5-bromo-2-fluoroanilino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 43555324
3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64732473
1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 43189533
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 16777146
1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 104583359
3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 54913530
1,7-dimethyl-3-(pent-4-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 104582781
3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 104583386
3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64922351
1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 43203893
1,7-dimethyl-3-(1-methylsulfinylpropan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 104584219

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol (CID 43189757) is 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol is Cc1cccc(NC2CC(C)c3c(C)ccc(O)c32)c1.
What is the InChIKey of 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is WSDHLMNMJCYQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-5-4-6-14(9-11)19-15-10-13(3)17-12(2)7-8-16(20)18(15)17/h4-9,13,15,19-20H,10H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 267.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43189757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).