3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine

C18H20BrNO — CID 66357532

IUPAC3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccc3cc(Br)ccc3c2)C12CCCC2
InChIInChI=1S/C18H20BrNO/c19-14-5-3-13-10-15(6-4-12(13)9-14)21-17-11-16(20)18(17)7-1-2-8-18/h3-6,9-10,16-17H,1-2,7-8,11,20H2
InChIKeyUMRIDHWYRGBDCQ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.64
Rot. Bonds2

About 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine

3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine (PubChem CID 66357532) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine
PubChem CID66357532
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccc3cc(Br)ccc3c2)C12CCCC2
InChIInChI=1S/C18H20BrNO/c19-14-5-3-13-10-15(6-4-12(13)9-14)21-17-11-16(20)18(17)7-1-2-8-18/h3-6,9-10,16-17H,1-2,7-8,11,20H2
InChIKeyUMRIDHWYRGBDCQ-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine (CID 66357532) is 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine is NC1CC(Oc2ccc3cc(Br)ccc3c2)C12CCCC2.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine?
The InChIKey is UMRIDHWYRGBDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-14-5-3-13-10-15(6-4-12(13)9-14)21-17-11-16(20)18(17)7-1-2-8-18/h3-6,9-10,16-17H,1-2,7-8,11,20H2.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine?
3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine has a molecular weight of 346.27 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 66357532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).