1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol

C25H25NO2 — CID 166589889

IUPAC1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
SMILESCCNCCOc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12
InChIInChI=1S/C25H25NO2/c1-2-26-15-16-28-25-14-12-19-8-4-6-10-21(19)23(25)17-22-20-9-5-3-7-18(20)11-13-24(22)27/h3-14,26-27H,2,15-17H2,1H3
InChIKeyAXZBAZAZUYCWRT-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.28
Rot. Bonds7

About 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol

1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol (PubChem CID 166589889) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
PubChem CID166589889
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
SMILESCCNCCOc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12
InChIInChI=1S/C25H25NO2/c1-2-26-15-16-28-25-14-12-19-8-4-6-10-21(19)23(25)17-22-20-9-5-3-7-18(20)11-13-24(22)27/h3-14,26-27H,2,15-17H2,1H3
InChIKeyAXZBAZAZUYCWRT-UHFFFAOYSA-N
XLogP5.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.28
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

N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589848
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589863
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63057433

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol (CID 166589889) is 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol is CCNCCOc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
The InChIKey is AXZBAZAZUYCWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-2-26-15-16-28-25-14-12-19-8-4-6-10-21(19)23(25)17-22-20-9-5-3-7-18(20)11-13-24(22)27/h3-14,26-27H,2,15-17H2,1H3.
What are the key properties of 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol has a molecular weight of 371.48 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 166589889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).