2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol

C17H19NO — CID 82976717

IUPAC2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccccc1O)C1CCc2ccccc21
InChIInChI=1S/C17H19NO/c1-18(12-14-7-3-5-9-17(14)19)16-11-10-13-6-2-4-8-15(13)16/h2-9,16,19H,10-12H2,1H3
InChIKeyFNTHSZYBHBZQCE-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.51
Rot. Bonds3

About 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol

2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol (PubChem CID 82976717) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
PubChem CID82976717
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccccc1O)C1CCc2ccccc21
InChIInChI=1S/C17H19NO/c1-18(12-14-7-3-5-9-17(14)19)16-11-10-13-6-2-4-8-15(13)16/h2-9,16,19H,10-12H2,1H3
InChIKeyFNTHSZYBHBZQCE-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol?
The IUPAC name of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol (CID 82976717) is 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol?
The canonical SMILES for 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol is CN(Cc1ccccc1O)C1CCc2ccccc21.
What is the InChIKey of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol?
The InChIKey is FNTHSZYBHBZQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18(12-14-7-3-5-9-17(14)19)16-11-10-13-6-2-4-8-15(13)16/h2-9,16,19H,10-12H2,1H3.
What are the key properties of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol?
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol is sourced from PubChem (CID 82976717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).