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

C19H23NO2 — CID 110910816

IUPAC(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C19H23NO2/c1-2-11-22-16-9-7-14(8-10-16)13-20-19-17-6-4-3-5-15(17)12-18(19)21/h3-10,18-21H,2,11-13H2,1H3/t18-,19+/m0/s1
InChIKeyLERAPQAGQNGQRL-RBUKOAKNSA-N
MW297.40 g/mol
LogP3.22
Rot. Bonds6

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

(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 110910816) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID110910816
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C19H23NO2/c1-2-11-22-16-9-7-14(8-10-16)13-20-19-17-6-4-3-5-15(17)12-18(19)21/h3-10,18-21H,2,11-13H2,1H3/t18-,19+/m0/s1
InChIKeyLERAPQAGQNGQRL-RBUKOAKNSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-2,3-dihydro-1H-inden-2-ol
CID 111466508
(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
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(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
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463114
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 110910816) is (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is CCCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1.
What is the InChIKey of (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is LERAPQAGQNGQRL-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-11-22-16-9-7-14(8-10-16)13-20-19-17-6-4-3-5-15(17)12-18(19)21/h3-10,18-21H,2,11-13H2,1H3/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 297.40 g/mol, XLogP of 3.22, 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-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 110910816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).