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

C22H21NO — CID 47075671

IUPAC(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H21NO/c24-21-14-19-10-4-5-12-20(19)22(21)23-15-16-7-6-11-18(13-16)17-8-2-1-3-9-17/h1-13,21-24H,14-15H2/t21-,22+/m0/s1
InChIKeyADLUILVUJQYBDL-FCHUYYIVSA-N
MW315.42 g/mol
LogP4.10
Rot. Bonds4

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

(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 47075671) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID47075671
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H21NO/c24-21-14-19-10-4-5-12-20(19)22(21)23-15-16-7-6-11-18(13-16)17-8-2-1-3-9-17/h1-13,21-24H,14-15H2/t21-,22+/m0/s1
InChIKeyADLUILVUJQYBDL-FCHUYYIVSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-[(3-phenoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 52806530
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463114
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(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-[(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-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 49463280
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
N,2-dibenzyl-2,3-dihydro-1H-inden-1-amine
CID 70031705
(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814882

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 47075671) is (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1NCc1cccc(-c2ccccc2)c1.
What is the InChIKey of (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is ADLUILVUJQYBDL-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H21NO/c24-21-14-19-10-4-5-12-20(19)22(21)23-15-16-7-6-11-18(13-16)17-8-2-1-3-9-17/h1-13,21-24H,14-15H2/t21-,22+/m0/s1.
What are the key properties of (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 315.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 47075671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).