1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol

C15H16N2O — CID 71922626

IUPAC1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NCc1ccncc1
InChIInChI=1S/C15H16N2O/c18-14-9-12-3-1-2-4-13(12)15(14)17-10-11-5-7-16-8-6-11/h1-8,14-15,17-18H,9-10H2
InChIKeyHUCCLJWMKGZRPS-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.83
Rot. Bonds3

About 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol

1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 71922626) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID71922626
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NCc1ccncc1
InChIInChI=1S/C15H16N2O/c18-14-9-12-3-1-2-4-13(12)15(14)17-10-11-5-7-16-8-6-11/h1-8,14-15,17-18H,9-10H2
InChIKeyHUCCLJWMKGZRPS-UHFFFAOYSA-N
XLogP1.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406
4-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzonitrile
CID 49463146
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47075671
(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110910816
(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol
CID 111466508
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 111696498
(1R,2S)-1-[(3-phenoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 52806530
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659
(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 49463280
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol (CID 71922626) is 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol is OC1Cc2ccccc2C1NCc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HUCCLJWMKGZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-14-9-12-3-1-2-4-13(12)15(14)17-10-11-5-7-16-8-6-11/h1-8,14-15,17-18H,9-10H2.
What are the key properties of 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 240.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 71922626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).