2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol

C12H17NO — CID 14789655

IUPAC2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCN(C)CC1Cc2ccccc2C1O
InChIInChI=1S/C12H17NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyKRUFBHHQSHXKJK-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.45
Rot. Bonds2

About 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol

2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 14789655) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID14789655
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCN(C)CC1Cc2ccccc2C1O
InChIInChI=1S/C12H17NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyKRUFBHHQSHXKJK-UHFFFAOYSA-N
XLogP1.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol (CID 14789655) is 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol is CN(C)CC1Cc2ccccc2C1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is KRUFBHHQSHXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14/h3-6,10,12,14H,7-8H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol?
2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 14789655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).