(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol

C18H19F2NO2 — CID 111466508

IUPAC(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1ccc(OCC(F)F)cc1
InChIInChI=1S/C18H19F2NO2/c19-17(20)11-23-14-7-5-12(6-8-14)10-21-18-15-4-2-1-3-13(15)9-16(18)22/h1-8,16-18,21-22H,9-11H2/t16-,18+/m0/s1
InChIKeyJHNQYZDSMOXEBL-FUHWJXTLSA-N
MW319.35 g/mol
LogP3.08
Rot. Bonds6

About (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 111466508) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID111466508
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1ccc(OCC(F)F)cc1
InChIInChI=1S/C18H19F2NO2/c19-17(20)11-23-14-7-5-12(6-8-14)10-21-18-15-4-2-1-3-13(15)9-16(18)22/h1-8,16-18,21-22H,9-11H2/t16-,18+/m0/s1
InChIKeyJHNQYZDSMOXEBL-FUHWJXTLSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110910816
4-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzonitrile
CID 49463146
(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
(1R,2S)-1-[(3-phenoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 52806530
(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463114
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47075671
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103209205

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol (CID 111466508) is (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1NCc1ccc(OCC(F)F)cc1.
What is the InChIKey of (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is JHNQYZDSMOXEBL-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19F2NO2/c19-17(20)11-23-14-7-5-12(6-8-14)10-21-18-15-4-2-1-3-13(15)9-16(18)22/h1-8,16-18,21-22H,9-11H2/t16-,18+/m0/s1.
What are the key properties of (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 319.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 111466508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).