(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol

C15H17NO2 — CID 49463266

IUPAC(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)o1
InChIInChI=1S/C15H17NO2/c1-10-6-7-12(18-10)9-16-15-13-5-3-2-4-11(13)8-14(15)17/h2-7,14-17H,8-9H2,1H3/t14-,15+/m0/s1
InChIKeyUNGUCYBEACYRKC-LSDHHAIUSA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds3

About (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 49463266) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID49463266
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)o1
InChIInChI=1S/C15H17NO2/c1-10-6-7-12(18-10)9-16-15-13-5-3-2-4-11(13)8-14(15)17/h2-7,14-17H,8-9H2,1H3/t14-,15+/m0/s1
InChIKeyUNGUCYBEACYRKC-LSDHHAIUSA-N
XLogP2.34
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60816926
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
(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,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
CID 94466425
(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110910816
(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463306
(1R,2S)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71934982
4-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzonitrile
CID 49463146

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 49463266) is (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is Cc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)o1.
What is the InChIKey of (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is UNGUCYBEACYRKC-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-6-7-12(18-10)9-16-15-13-5-3-2-4-11(13)8-14(15)17/h2-7,14-17H,8-9H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 49463266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).