3-naphthalen-2-yloxyspiro[3.4]octan-1-amine

C18H21NO — CID 66358347

IUPAC3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccc3ccccc3c2)C12CCCC2
InChIInChI=1S/C18H21NO/c19-16-12-17(18(16)9-3-4-10-18)20-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16-17H,3-4,9-10,12,19H2
InChIKeyOOMYVMPJUHHDPQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.88
Rot. Bonds2

About 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine

3-naphthalen-2-yloxyspiro[3.4]octan-1-amine (PubChem CID 66358347) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
PubChem CID66358347
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccc3ccccc3c2)C12CCCC2
InChIInChI=1S/C18H21NO/c19-16-12-17(18(16)9-3-4-10-18)20-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16-17H,3-4,9-10,12,19H2
InChIKeyOOMYVMPJUHHDPQ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine?
The IUPAC name of 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine (CID 66358347) is 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine?
The canonical SMILES for 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine is NC1CC(Oc2ccc3ccccc3c2)C12CCCC2.
What is the InChIKey of 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine?
The InChIKey is OOMYVMPJUHHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-16-12-17(18(16)9-3-4-10-18)20-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16-17H,3-4,9-10,12,19H2.
What are the key properties of 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine?
3-naphthalen-2-yloxyspiro[3.4]octan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yloxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 66358347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).