(1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol

C11H15NO — CID 70267416

IUPAC(1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol
SMILESCN(C)[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C11H15NO/c1-12(2)11(13)8-7-9-5-3-4-6-10(9)11/h3-6,13H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyPHXJXIFJPVDZBM-LLVKDONJSA-N
MW177.25 g/mol
LogP1.34
Rot. Bonds1

About (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol

(1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol (PubChem CID 70267416) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol
PubChem CID70267416
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol
SMILESCN(C)[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C11H15NO/c1-12(2)11(13)8-7-9-5-3-4-6-10(9)11/h3-6,13H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyPHXJXIFJPVDZBM-LLVKDONJSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,3R)-3-[bis(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 71583744
(1R,3R)-3-[bis(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 71583745
Aminoindanol
CID 19357388
(1r,2s)-cis-Aminoindanol
CID 21032378
1H-Inden-1-ol, 1-amino-2,3-dihydro-, (1S)-
CID 34178363
(1-Isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 58082217
1-Amino-5-fluoro-2,3-dihydroinden-1-ol
CID 153908848
N-acetyl-aminoindanol
CID 53799099
1-(Hydroxyamino)-2,3-dihydroinden-1-ol
CID 91318746
Lithium 9-(diethylamino)fluoren-9-olate
CID 138977249
(1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol
CID 101189378
(1S,2S)-2-(diethylamino)-1-ethyl-2,3-dihydroinden-1-ol
CID 101189379

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol?
The IUPAC name of (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol (CID 70267416) is (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol?
The canonical SMILES for (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol is CN(C)[C@@]1(O)CCc2ccccc21.
What is the InChIKey of (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol?
The InChIKey is PHXJXIFJPVDZBM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c1-12(2)11(13)8-7-9-5-3-4-6-10(9)11/h3-6,13H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol?
(1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 70267416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).