(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one

C19H21NO2 — CID 159876841

IUPAC(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one
SMILESCO[C@H](C(=O)C[C@H]1Cc2ccccc2[C@@H]1N)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-22-19(13-7-3-2-4-8-13)17(21)12-15-11-14-9-5-6-10-16(14)18(15)20/h2-10,15,18-19H,11-12,20H2,1H3/t15-,18-,19+/m1/s1
InChIKeyNSZYRLWYCUXGHM-LZQZEXGQSA-N
MW295.38 g/mol
LogP3.21
Rot. Bonds5

About (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one

(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one (PubChem CID 159876841) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one
PubChem CID159876841
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one
SMILESCO[C@H](C(=O)C[C@H]1Cc2ccccc2[C@@H]1N)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-22-19(13-7-3-2-4-8-13)17(21)12-15-11-14-9-5-6-10-16(14)18(15)20/h2-10,15,18-19H,11-12,20H2,1H3/t15-,18-,19+/m1/s1
InChIKeyNSZYRLWYCUXGHM-LZQZEXGQSA-N
XLogP3.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one with MolForge

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Related Compounds

N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide
CID 137441325
N-(1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl)-2-methoxy-2-phenylacetamide
CID 130292780
3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-(2,4-difluorophenyl)-1-(3-methoxyazetidin-1-yl)propan-2-one
CID 159181158
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 160671581
4-amino-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-one
CID 116553051
(3S)-3-(4-fluorophenyl)-1-(1-methoxy-2,3-dihydro-1H-inden-2-yl)pentan-2-one
CID 160953531
CID 59883683
CID 59883683
methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate
CID 64675959
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one?
The IUPAC name of (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one (CID 159876841) is (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one.
What is the SMILES notation for (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one?
The canonical SMILES for (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one is CO[C@H](C(=O)C[C@H]1Cc2ccccc2[C@@H]1N)c1ccccc1.
What is the InChIKey of (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one?
The InChIKey is NSZYRLWYCUXGHM-LZQZEXGQSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-19(13-7-3-2-4-8-13)17(21)12-15-11-14-9-5-6-10-16(14)18(15)20/h2-10,15,18-19H,11-12,20H2,1H3/t15-,18-,19+/m1/s1.
What are the key properties of (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one?
(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one is sourced from PubChem (CID 159876841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).