1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol

C12H17NO — CID 84663504

IUPAC1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
SMILESCC(CN)C1CCc2cc(O)ccc21
InChIInChI=1S/C12H17NO/c1-8(7-13)11-4-2-9-6-10(14)3-5-12(9)11/h3,5-6,8,11,14H,2,4,7,13H2,1H3
InChIKeyJMHBIMVDRCWFLN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.02
Rot. Bonds2

About 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol

1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol (PubChem CID 84663504) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
PubChem CID84663504
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
SMILESCC(CN)C1CCc2cc(O)ccc21
InChIInChI=1S/C12H17NO/c1-8(7-13)11-4-2-9-6-10(14)3-5-12(9)11/h3,5-6,8,11,14H,2,4,7,13H2,1H3
InChIKeyJMHBIMVDRCWFLN-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoate
CID 23529442
(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 10467195
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685117
(4bS,7S,8S,8aR)-8-(2-aminoethyl)-7-[(1R)-1-hydroxyethyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
CID 11771128
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 83907555
1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107684994
methyl (2S)-2-[(1S)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 59590884
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 68632713
3-(2-aminoethyl)-2,3-dihydro-1H-inden-5-ol
CID 83827747
1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
CID 71369533
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol (CID 84663504) is 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol is CC(CN)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is JMHBIMVDRCWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(7-13)11-4-2-9-6-10(14)3-5-12(9)11/h3,5-6,8,11,14H,2,4,7,13H2,1H3.
What are the key properties of 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol?
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 191.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 84663504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).