3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol

C10H13NO — CID 82157980

IUPAC3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)C(O)CC2N
InChIInChI=1S/C10H13NO/c1-6-2-3-7-8(4-6)10(12)5-9(7)11/h2-4,9-10,12H,5,11H2,1H3
InChIKeySGJXDEWFWCNFOC-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.43
Rot. Bonds

About 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol

3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 82157980) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID82157980
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)C(O)CC2N
InChIInChI=1S/C10H13NO/c1-6-2-3-7-8(4-6)10(12)5-9(7)11/h2-4,9-10,12H,5,11H2,1H3
InChIKeySGJXDEWFWCNFOC-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol (CID 82157980) is 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol is Cc1ccc2c(c1)C(O)CC2N.
What is the InChIKey of 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SGJXDEWFWCNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-2-3-7-8(4-6)10(12)5-9(7)11/h2-4,9-10,12H,5,11H2,1H3.
What are the key properties of 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol?
3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 163.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 82157980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).