4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol

C17H23NO2 — CID 106840515

IUPAC4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCOc1ccc2cc(C(C)NCCCCO)ccc2c1
InChIInChI=1S/C17H23NO2/c1-13(18-9-3-4-10-19)14-5-6-16-12-17(20-2)8-7-15(16)11-14/h5-8,11-13,18-19H,3-4,9-10H2,1-2H3
InChIKeyFOFPKVBPQSMLDZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.27
Rot. Bonds7

About 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol

4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol (PubChem CID 106840515) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
PubChem CID106840515
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCOc1ccc2cc(C(C)NCCCCO)ccc2c1
InChIInChI=1S/C17H23NO2/c1-13(18-9-3-4-10-19)14-5-6-16-12-17(20-2)8-7-15(16)11-14/h5-8,11-13,18-19H,3-4,9-10H2,1-2H3
InChIKeyFOFPKVBPQSMLDZ-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63982854
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
2-methoxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 115664040

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol (CID 106840515) is 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol is COc1ccc2cc(C(C)NCCCCO)ccc2c1.
What is the InChIKey of 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol?
The InChIKey is FOFPKVBPQSMLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(18-9-3-4-10-19)14-5-6-16-12-17(20-2)8-7-15(16)11-14/h5-8,11-13,18-19H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol?
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 106840515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).