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

C17H20N2O — CID 79042004

IUPAC1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2Nc1cccnc1C
InChIInChI=1S/C17H20N2O/c1-10-6-7-15(20)17-14(9-11(2)16(10)17)19-13-5-4-8-18-12(13)3/h4-8,11,14,19-20H,9H2,1-3H3
InChIKeyORAPUKOTBJPPPN-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.06
Rot. Bonds2

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

1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 79042004) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID79042004
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2Nc1cccnc1C
InChIInChI=1S/C17H20N2O/c1-10-6-7-15(20)17-14(9-11(2)16(10)17)19-13-5-4-8-18-12(13)3/h4-8,11,14,19-20H,9H2,1-3H3
InChIKeyORAPUKOTBJPPPN-UHFFFAOYSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.06
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-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol (CID 79042004) is 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2Nc1cccnc1C.
What is the InChIKey of 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ORAPUKOTBJPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-10-6-7-15(20)17-14(9-11(2)16(10)17)19-13-5-4-8-18-12(13)3/h4-8,11,14,19-20H,9H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 268.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[(2-methyl-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 79042004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).