1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol

C17H19NO2 — CID 107862522

IUPAC1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESOC[C@H](NC1CCc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-11-17(12-4-2-1-3-5-12)18-16-9-6-13-10-14(20)7-8-15(13)16/h1-5,7-8,10,16-20H,6,9,11H2/t16?,17-/m0/s1
InChIKeyREMTZWBPNKZULW-DJNXLDHESA-N
MW269.34 g/mol
LogP2.70
Rot. Bonds4

About 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol

1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107862522) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107862522
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESOC[C@H](NC1CCc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-11-17(12-4-2-1-3-5-12)18-16-9-6-13-10-14(20)7-8-15(13)16/h1-5,7-8,10,16-20H,6,9,11H2/t16?,17-/m0/s1
InChIKeyREMTZWBPNKZULW-DJNXLDHESA-N
XLogP2.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596
1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol
CID 107681875
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
(2R)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-phenylethanol
CID 103788778

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol (CID 107862522) is 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol is OC[C@H](NC1CCc2cc(O)ccc21)c1ccccc1.
What is the InChIKey of 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is REMTZWBPNKZULW-DJNXLDHESA-N. The full InChI is InChI=1S/C17H19NO2/c19-11-17(12-4-2-1-3-5-12)18-16-9-6-13-10-14(20)7-8-15(13)16/h1-5,7-8,10,16-20H,6,9,11H2/t16?,17-/m0/s1.
What are the key properties of 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol?
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 269.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107862522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).