3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol

C13H19NO — CID 105458052

IUPAC3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)NCC1CCc2ccc(O)cc21
InChIInChI=1S/C13H19NO/c1-9(2)14-8-11-4-3-10-5-6-12(15)7-13(10)11/h5-7,9,11,14-15H,3-4,8H2,1-2H3
InChIKeyXOMKLJPSDALRBX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol

3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 105458052) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID105458052
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)NCC1CCc2ccc(O)cc21
InChIInChI=1S/C13H19NO/c1-9(2)14-8-11-4-3-10-5-6-12(15)7-13(10)11/h5-7,9,11,14-15H,3-4,8H2,1-2H3
InChIKeyXOMKLJPSDALRBX-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol (CID 105458052) is 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol is CC(C)NCC1CCc2ccc(O)cc21.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is XOMKLJPSDALRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)14-8-11-4-3-10-5-6-12(15)7-13(10)11/h5-7,9,11,14-15H,3-4,8H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 205.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 105458052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).