3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine

C17H21NO2 — CID 107943277

IUPAC3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-2-9-19-17-15(18)11-16(17)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15-17H,2,9,11,18H2,1H3
InChIKeyISOIIFZIHPMXGA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.11
Rot. Bonds5

About 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine

3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine (PubChem CID 107943277) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
PubChem CID107943277
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-2-9-19-17-15(18)11-16(17)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15-17H,2,9,11,18H2,1H3
InChIKeyISOIIFZIHPMXGA-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine (CID 107943277) is 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine?
The InChIKey is ISOIIFZIHPMXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-9-19-17-15(18)11-16(17)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15-17H,2,9,11,18H2,1H3.
What are the key properties of 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine?
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).