6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one

C18H19NO2 — CID 22324866

IUPAC6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(Cc1c(O)ccc2c1CCCC2=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-19(13-6-3-2-4-7-13)12-16-14-8-5-9-17(20)15(14)10-11-18(16)21/h2-4,6-7,10-11,21H,5,8-9,12H2,1H3
InChIKeyLVMXTMJDXHHWIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.55
Rot. Bonds3

About 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one

6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 22324866) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID22324866
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(Cc1c(O)ccc2c1CCCC2=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-19(13-6-3-2-4-7-13)12-16-14-8-5-9-17(20)15(14)10-11-18(16)21/h2-4,6-7,10-11,21H,5,8-9,12H2,1H3
InChIKeyLVMXTMJDXHHWIE-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 22324866) is 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one is CN(Cc1c(O)ccc2c1CCCC2=O)c1ccccc1.
What is the InChIKey of 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LVMXTMJDXHHWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19(13-6-3-2-4-7-13)12-16-14-8-5-9-17(20)15(14)10-11-18(16)21/h2-4,6-7,10-11,21H,5,8-9,12H2,1H3.
What are the key properties of 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(N-methylanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 22324866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).