1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol

C18H22N2O — CID 62996680

IUPAC1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(CNC2CC(C)c3c(C)ccc(O)c32)cn1
InChIInChI=1S/C18H22N2O/c1-11-4-7-16(21)18-15(8-12(2)17(11)18)20-10-14-6-5-13(3)19-9-14/h4-7,9,12,15,20-21H,8,10H2,1-3H3
InChIKeyYYPGKJZIHFRPHS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.74
Rot. Bonds3

About 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 62996680) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID62996680
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(CNC2CC(C)c3c(C)ccc(O)c32)cn1
InChIInChI=1S/C18H22N2O/c1-11-4-7-16(21)18-15(8-12(2)17(11)18)20-10-14-6-5-13(3)19-9-14/h4-7,9,12,15,20-21H,8,10H2,1-3H3
InChIKeyYYPGKJZIHFRPHS-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-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 62996680) is 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol is Cc1ccc(CNC2CC(C)c3c(C)ccc(O)c32)cn1.
What is the InChIKey of 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is YYPGKJZIHFRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-4-7-16(21)18-15(8-12(2)17(11)18)20-10-14-6-5-13(3)19-9-14/h4-7,9,12,15,20-21H,8,10H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-[(6-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-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 62996680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).