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

C21H21NO2 — CID 49463306

IUPAC(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ccc2ccccc2c1CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C21H21NO2/c1-24-20-11-10-14-6-2-4-8-16(14)18(20)13-22-21-17-9-5-3-7-15(17)12-19(21)23/h2-11,19,21-23H,12-13H2,1H3/t19-,21+/m0/s1
InChIKeyLUGLBYZCRVTAGS-PZJWPPBQSA-N
MW319.40 g/mol
LogP3.60
Rot. Bonds4

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

(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 49463306) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID49463306
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ccc2ccccc2c1CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C21H21NO2/c1-24-20-11-10-14-6-2-4-8-16(14)18(20)13-22-21-17-9-5-3-7-15(17)12-19(21)23/h2-11,19,21-23H,12-13H2,1H3/t19-,21+/m0/s1
InChIKeyLUGLBYZCRVTAGS-PZJWPPBQSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 49463280
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814882
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 111114380
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
CID 83229536
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
ethyl 2-[3-[2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-4-methylphenoxy]-4-methoxyphenyl]acetate
CID 70944551
(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 49463306) is (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is COc1ccc2ccccc2c1CN[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is LUGLBYZCRVTAGS-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-20-11-10-14-6-2-4-8-16(14)18(20)13-22-21-17-9-5-3-7-15(17)12-19(21)23/h2-11,19,21-23H,12-13H2,1H3/t19-,21+/m0/s1.
What are the key properties of (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 319.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 49463306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).