[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol

C10H13NO — CID 17039428

IUPAC[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol
SMILESN[C@H]1c2ccccc2C[C@H]1CO
InChIInChI=1S/C10H13NO/c11-10-8(6-12)5-7-3-1-2-4-9(7)10/h1-4,8,10,12H,5-6,11H2/t8-,10+/m0/s1
InChIKeyNUYCSMIPFIJMQL-WCBMZHEXSA-N
MW163.22 g/mol
LogP0.85
Rot. Bonds1

About [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol

[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol (PubChem CID 17039428) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol
PubChem CID17039428
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol
SMILESN[C@H]1c2ccccc2C[C@H]1CO
InChIInChI=1S/C10H13NO/c11-10-8(6-12)5-7-3-1-2-4-9(7)10/h1-4,8,10,12H,5-6,11H2/t8-,10+/m0/s1
InChIKeyNUYCSMIPFIJMQL-WCBMZHEXSA-N
XLogP0.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol?
The IUPAC name of [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol (CID 17039428) is [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol.
What is the SMILES notation for [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol?
The canonical SMILES for [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol is N[C@H]1c2ccccc2C[C@H]1CO.
What is the InChIKey of [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol?
The InChIKey is NUYCSMIPFIJMQL-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H13NO/c11-10-8(6-12)5-7-3-1-2-4-9(7)10/h1-4,8,10,12H,5-6,11H2/t8-,10+/m0/s1.
What are the key properties of [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol?
[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol has a molecular weight of 163.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol is sourced from PubChem (CID 17039428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).