1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol

C16H21NO2 — CID 115655572

IUPAC1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol
SMILESCCOC(C)CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-3-19-12(2)10-17-11-15-14-7-5-4-6-13(14)8-9-16(15)18/h4-9,12,17-18H,3,10-11H2,1-2H3
InChIKeyNTADFZFWHDRFCZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds6

About 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol

1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol (PubChem CID 115655572) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol
PubChem CID115655572
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol
SMILESCCOC(C)CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-3-19-12(2)10-17-11-15-14-7-5-4-6-13(14)8-9-16(15)18/h4-9,12,17-18H,3,10-11H2,1-2H3
InChIKeyNTADFZFWHDRFCZ-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[[(2-hydroxy-3,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111119224
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111118565
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
CID 113477259
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908
4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
CID 115655656
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol (CID 115655572) is 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol is CCOC(C)CNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol?
The InChIKey is NTADFZFWHDRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-19-12(2)10-17-11-15-14-7-5-4-6-13(14)8-9-16(15)18/h4-9,12,17-18H,3,10-11H2,1-2H3.
What are the key properties of 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol?
1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol has a molecular weight of 259.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 115655572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).