5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol

C17H23NO2 — CID 62229347

IUPAC5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
SMILESCNCc1c(OCCCCCO)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-18-13-16-15-8-4-3-7-14(15)9-10-17(16)20-12-6-2-5-11-19/h3-4,7-10,18-19H,2,5-6,11-13H2,1H3
InChIKeyZYMQRALODGVHCD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds8

About 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol

5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol (PubChem CID 62229347) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol.

Molecular Properties

Compound Name5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
PubChem CID62229347
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
SMILESCNCc1c(OCCCCCO)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-18-13-16-15-8-4-3-7-14(15)9-10-17(16)20-12-6-2-5-11-19/h3-4,7-10,18-19H,2,5-6,11-13H2,1H3
InChIKeyZYMQRALODGVHCD-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-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

methyl 4-[1-(methylaminomethyl)naphthalen-2-yl]oxybutanoate
CID 60888670
1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
CID 61481605
3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63057433
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol?
The IUPAC name of 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol (CID 62229347) is 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol.
What is the SMILES notation for 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol?
The canonical SMILES for 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol is CNCc1c(OCCCCCO)ccc2ccccc12.
What is the InChIKey of 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol?
The InChIKey is ZYMQRALODGVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-13-16-15-8-4-3-7-14(15)9-10-17(16)20-12-6-2-5-11-19/h3-4,7-10,18-19H,2,5-6,11-13H2,1H3.
What are the key properties of 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol?
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol is sourced from PubChem (CID 62229347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).