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

C12H15NO — CID 105443791

IUPAC3-(1-aminopropan-2-yl)-1H-inden-5-ol
SMILESCC(CN)C1=CCc2ccc(O)cc21
InChIInChI=1S/C12H15NO/c1-8(7-13)11-5-3-9-2-4-10(14)6-12(9)11/h2,4-6,8,14H,3,7,13H2,1H3
InChIKeyMJWITJHLUWNDSQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.93
Rot. Bonds2

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

3-(1-aminopropan-2-yl)-1H-inden-5-ol (PubChem CID 105443791) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-1H-inden-5-ol.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-1H-inden-5-ol
PubChem CID105443791
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(1-aminopropan-2-yl)-1H-inden-5-ol
SMILESCC(CN)C1=CCc2ccc(O)cc21
InChIInChI=1S/C12H15NO/c1-8(7-13)11-5-3-9-2-4-10(14)6-12(9)11/h2,4-6,8,14H,3,7,13H2,1H3
InChIKeyMJWITJHLUWNDSQ-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(6-hydroxy-3H-inden-1-yl)acetonitrile;propanenitrile
CID 67584119
3-(2-aminoethyl)-1H-inden-5-ol
CID 59866718
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
3-(1-aminopropan-2-yl)-1,1-dioxo-1-benzothiophen-5-ol
CID 117120895
1-[1-(methylamino)ethyl]-3H-inden-5-ol
CID 105443743
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
2-(1-aminopropan-2-yl)phenol
CID 3028046
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291
2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117298493
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-1H-inden-5-ol?
The IUPAC name of 3-(1-aminopropan-2-yl)-1H-inden-5-ol (CID 105443791) is 3-(1-aminopropan-2-yl)-1H-inden-5-ol.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-1H-inden-5-ol?
The canonical SMILES for 3-(1-aminopropan-2-yl)-1H-inden-5-ol is CC(CN)C1=CCc2ccc(O)cc21.
What is the InChIKey of 3-(1-aminopropan-2-yl)-1H-inden-5-ol?
The InChIKey is MJWITJHLUWNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(7-13)11-5-3-9-2-4-10(14)6-12(9)11/h2,4-6,8,14H,3,7,13H2,1H3.
What are the key properties of 3-(1-aminopropan-2-yl)-1H-inden-5-ol?
3-(1-aminopropan-2-yl)-1H-inden-5-ol has a molecular weight of 189.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-1H-inden-5-ol is sourced from PubChem (CID 105443791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).