1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol

C18H22N2O — CID 114955019

IUPAC1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccncc1CNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C18H22N2O/c1-11-6-7-19-9-14(11)10-20-15-8-13(3)17-12(2)4-5-16(21)18(15)17/h4-7,9,13,15,20-21H,8,10H2,1-3H3
InChIKeyLMZIZPVEBDBAOY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.74
Rot. Bonds3

About 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 114955019) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID114955019
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccncc1CNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C18H22N2O/c1-11-6-7-19-9-14(11)10-20-15-8-13(3)17-12(2)4-5-16(21)18(15)17/h4-7,9,13,15,20-21H,8,10H2,1-3H3
InChIKeyLMZIZPVEBDBAOY-UHFFFAOYSA-N
XLogP3.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 114955019) is 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol is Cc1ccncc1CNC1CC(C)c2c(C)ccc(O)c21.
What is the InChIKey of 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is LMZIZPVEBDBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-6-7-19-9-14(11)10-20-15-8-13(3)17-12(2)4-5-16(21)18(15)17/h4-7,9,13,15,20-21H,8,10H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 282.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 114955019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).