2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine

C18H23NO2 — CID 60905678

IUPAC2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
SMILESNCCc1c(OCC2CCCCO2)ccc2ccccc12
InChIInChI=1S/C18H23NO2/c19-11-10-17-16-7-2-1-5-14(16)8-9-18(17)21-13-15-6-3-4-12-20-15/h1-2,5,7-9,15H,3-4,6,10-13,19H2
InChIKeyCMFKJPBHBOWOFN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine

2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine (PubChem CID 60905678) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
PubChem CID60905678
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
SMILESNCCc1c(OCC2CCCCO2)ccc2ccccc12
InChIInChI=1S/C18H23NO2/c19-11-10-17-16-7-2-1-5-14(16)8-9-18(17)21-13-15-6-3-4-12-20-15/h1-2,5,7-9,15H,3-4,6,10-13,19H2
InChIKeyCMFKJPBHBOWOFN-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride
CID 172910530
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 172666445
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963
(1R)-1-[1-(oxan-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 63368500
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479
2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine
CID 63936894
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904856

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine (CID 60905678) is 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine is NCCc1c(OCC2CCCCO2)ccc2ccccc12.
What is the InChIKey of 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine?
The InChIKey is CMFKJPBHBOWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c19-11-10-17-16-7-2-1-5-14(16)8-9-18(17)21-13-15-6-3-4-12-20-15/h1-2,5,7-9,15H,3-4,6,10-13,19H2.
What are the key properties of 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine?
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine is sourced from PubChem (CID 60905678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).