(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol

C20H19NO — CID 49463280

IUPAC(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1cccc2ccccc12
InChIInChI=1S/C20H19NO/c22-19-12-15-7-2-4-11-18(15)20(19)21-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-11,19-22H,12-13H2/t19-,20+/m0/s1
InChIKeyVQUUCIDIEYPJCX-VQTJNVASSA-N
MW289.38 g/mol
LogP3.59
Rot. Bonds3

About (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 49463280) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID49463280
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1cccc2ccccc12
InChIInChI=1S/C20H19NO/c22-19-12-15-7-2-4-11-18(15)20(19)21-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-11,19-22H,12-13H2/t19-,20+/m0/s1
InChIKeyVQUUCIDIEYPJCX-VQTJNVASSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463306
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide
CID 154875779
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47075671
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
(1R,2S)-1-[(3-phenoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 52806530
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-[(5-chloro-2-nitrophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 111440129

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol (CID 49463280) is (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1NCc1cccc2ccccc12.
What is the InChIKey of (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is VQUUCIDIEYPJCX-VQTJNVASSA-N. The full InChI is InChI=1S/C20H19NO/c22-19-12-15-7-2-4-11-18(15)20(19)21-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-11,19-22H,12-13H2/t19-,20+/m0/s1.
What are the key properties of (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 289.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 49463280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).