[2-(ethoxymethoxy)naphthalen-1-yl]methanamine

C14H17NO2 — CID 65369670

IUPAC[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
SMILESCCOCOc1ccc2ccccc2c1CN
InChIInChI=1S/C14H17NO2/c1-2-16-10-17-14-8-7-11-5-3-4-6-12(11)13(14)9-15/h3-8H,2,9-10,15H2,1H3
InChIKeyAFHNVSXPMSKZAM-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.67
Rot. Bonds5

About [2-(ethoxymethoxy)naphthalen-1-yl]methanamine

[2-(ethoxymethoxy)naphthalen-1-yl]methanamine (PubChem CID 65369670) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [2-(ethoxymethoxy)naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
PubChem CID65369670
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
SMILESCCOCOc1ccc2ccccc2c1CN
InChIInChI=1S/C14H17NO2/c1-2-16-10-17-14-8-7-11-5-3-4-6-12(11)13(14)9-15/h3-8H,2,9-10,15H2,1H3
InChIKeyAFHNVSXPMSKZAM-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-(ethoxymethoxy)naphthalen-1-yl]methanamine 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-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
CID 62266046
1-benzyl-2-ethoxynaphthalene
CID 12064074
4-(ethoxymethoxy)naphthalen-1-amine
CID 65364602
4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine
CID 166589878
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
ethoxyethane;phenanthrene
CID 174652079
[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
CID 20984389
[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethoxy)naphthalen-1-yl]methanamine?
The IUPAC name of [2-(ethoxymethoxy)naphthalen-1-yl]methanamine (CID 65369670) is [2-(ethoxymethoxy)naphthalen-1-yl]methanamine.
What is the SMILES notation for [2-(ethoxymethoxy)naphthalen-1-yl]methanamine?
The canonical SMILES for [2-(ethoxymethoxy)naphthalen-1-yl]methanamine is CCOCOc1ccc2ccccc2c1CN.
What is the InChIKey of [2-(ethoxymethoxy)naphthalen-1-yl]methanamine?
The InChIKey is AFHNVSXPMSKZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-16-10-17-14-8-7-11-5-3-4-6-12(11)13(14)9-15/h3-8H,2,9-10,15H2,1H3.
What are the key properties of [2-(ethoxymethoxy)naphthalen-1-yl]methanamine?
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethoxy)naphthalen-1-yl]methanamine is sourced from PubChem (CID 65369670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).