1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol

C19H19NO — CID 577695

IUPAC1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1ccccc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H19NO/c1-20(13-15-7-3-2-4-8-15)14-18-17-10-6-5-9-16(17)11-12-19(18)21/h2-12,21H,13-14H2,1H3
InChIKeyOGPNOYCZRBAADM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.18
Rot. Bonds4

About 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol

1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol (PubChem CID 577695) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol
PubChem CID577695
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1ccccc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H19NO/c1-20(13-15-7-3-2-4-8-15)14-18-17-10-6-5-9-16(17)11-12-19(18)21/h2-12,21H,13-14H2,1H3
InChIKeyOGPNOYCZRBAADM-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.18
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 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol (CID 577695) is 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol is CN(Cc1ccccc1)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol?
The InChIKey is OGPNOYCZRBAADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-20(13-15-7-3-2-4-8-15)14-18-17-10-6-5-9-16(17)11-12-19(18)21/h2-12,21H,13-14H2,1H3.
What are the key properties of 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol?
1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol has a molecular weight of 277.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzyl(methyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 577695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).