2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine

C17H21NO2 — CID 63936894

IUPAC2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine
SMILESNCCc1c(OC2CCOCC2)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c18-10-7-16-15-4-2-1-3-13(15)5-6-17(16)20-14-8-11-19-12-9-14/h1-6,14H,7-12,18H2
InChIKeyWWBHGRNJHXMNCA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds4

About 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine

2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine (PubChem CID 63936894) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine
PubChem CID63936894
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine
SMILESNCCc1c(OC2CCOCC2)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c18-10-7-16-15-4-2-1-3-13(15)5-6-17(16)20-14-8-11-19-12-9-14/h1-6,14H,7-12,18H2
InChIKeyWWBHGRNJHXMNCA-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine
CID 63937815
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 63937091
(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781
2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid
CID 170886811
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
[2-(4-methylcyclohexyl)oxynaphthalen-1-yl]methanol
CID 64748926
[2-(3,5-dimethylcyclohexyl)oxynaphthalen-1-yl]methanamine
CID 64735117
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
2-[1-(2-aminoethyl)naphthalen-2-yl]oxy-N-cyclopropylacetamide
CID 60906439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine (CID 63936894) is 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine is NCCc1c(OC2CCOCC2)ccc2ccccc12.
What is the InChIKey of 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine?
The InChIKey is WWBHGRNJHXMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c18-10-7-16-15-4-2-1-3-13(15)5-6-17(16)20-14-8-11-19-12-9-14/h1-6,14H,7-12,18H2.
What are the key properties of 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine?
2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine is sourced from PubChem (CID 63936894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).