(3-amino-2,3-dihydro-1H-inden-5-yl)methanol

C10H13NO — CID 130044190

IUPAC(3-amino-2,3-dihydro-1H-inden-5-yl)methanol
SMILESNC1CCc2ccc(CO)cc21
InChIInChI=1S/C10H13NO/c11-10-4-3-8-2-1-7(6-12)5-9(8)10/h1-2,5,10,12H,3-4,6,11H2
InChIKeyGWXPVNKPNJIKTA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.12
Rot. Bonds1

About (3-amino-2,3-dihydro-1H-inden-5-yl)methanol

(3-amino-2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 130044190) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (3-amino-2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(3-amino-2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID130044190
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(3-amino-2,3-dihydro-1H-inden-5-yl)methanol
SMILESNC1CCc2ccc(CO)cc21
InChIInChI=1S/C10H13NO/c11-10-4-3-8-2-1-7(6-12)5-9(8)10/h1-2,5,10,12H,3-4,6,11H2
InChIKeyGWXPVNKPNJIKTA-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (3-amino-2,3-dihydro-1H-inden-5-yl)methanol (CID 130044190) is (3-amino-2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (3-amino-2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (3-amino-2,3-dihydro-1H-inden-5-yl)methanol is NC1CCc2ccc(CO)cc21.
What is the InChIKey of (3-amino-2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is GWXPVNKPNJIKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-10-4-3-8-2-1-7(6-12)5-9(8)10/h1-2,5,10,12H,3-4,6,11H2.
What are the key properties of (3-amino-2,3-dihydro-1H-inden-5-yl)methanol?
(3-amino-2,3-dihydro-1H-inden-5-yl)methanol has a molecular weight of 163.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 130044190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).