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

C20H25NO — CID 49463406

IUPAC(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)(C)c1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C20H25NO/c1-20(2,3)16-10-8-14(9-11-16)13-21-19-17-7-5-4-6-15(17)12-18(19)22/h4-11,18-19,21-22H,12-13H2,1-3H3/t18-,19+/m0/s1
InChIKeyOTUYLUCIVZQCAS-RBUKOAKNSA-N
MW295.43 g/mol
LogP3.73
Rot. Bonds3

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

(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 49463406) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID49463406
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)(C)c1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C20H25NO/c1-20(2,3)16-10-8-14(9-11-16)13-21-19-17-7-5-4-6-15(17)12-18(19)22/h4-11,18-19,21-22H,12-13H2,1-3H3/t18-,19+/m0/s1
InChIKeyOTUYLUCIVZQCAS-RBUKOAKNSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzonitrile
CID 49463146
(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
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47075671
(1R,2S)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71934982
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 49463406) is (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is CC(C)(C)c1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1.
What is the InChIKey of (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is OTUYLUCIVZQCAS-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H25NO/c1-20(2,3)16-10-8-14(9-11-16)13-21-19-17-7-5-4-6-15(17)12-18(19)22/h4-11,18-19,21-22H,12-13H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 295.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 49463406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).