2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol

C17H23NO3 — CID 43207599

IUPAC2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
SMILESCOc1ccc2cc(C(C)NCCOCCO)ccc2c1
InChIInChI=1S/C17H23NO3/c1-13(18-7-9-21-10-8-19)14-3-4-16-12-17(20-2)6-5-15(16)11-14/h3-6,11-13,18-19H,7-10H2,1-2H3
InChIKeyYMEPEUIUNNPALC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.51
Rot. Bonds8

About 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol

2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol (PubChem CID 43207599) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
PubChem CID43207599
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
SMILESCOc1ccc2cc(C(C)NCCOCCO)ccc2c1
InChIInChI=1S/C17H23NO3/c1-13(18-7-9-21-10-8-19)14-3-4-16-12-17(20-2)6-5-15(16)11-14/h3-6,11-13,18-19H,7-10H2,1-2H3
InChIKeyYMEPEUIUNNPALC-UHFFFAOYSA-N
XLogP2.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63982854
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81370490
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol (CID 43207599) is 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol is COc1ccc2cc(C(C)NCCOCCO)ccc2c1.
What is the InChIKey of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol?
The InChIKey is YMEPEUIUNNPALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(18-7-9-21-10-8-19)14-3-4-16-12-17(20-2)6-5-15(16)11-14/h3-6,11-13,18-19H,7-10H2,1-2H3.
What are the key properties of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol?
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 43207599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).