6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine

C18H27NO2 — CID 79237484

IUPAC6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine
SMILESCCCNC1CCOC2(CCCc3ccc(OC)cc32)C1
InChIInChI=1S/C18H27NO2/c1-3-10-19-15-8-11-21-18(13-15)9-4-5-14-6-7-16(20-2)12-17(14)18/h6-7,12,15,19H,3-5,8-11,13H2,1-2H3
InChIKeyRSEAXUVUMMNKGG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.41
Rot. Bonds4

About 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine

6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine (PubChem CID 79237484) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine.

Molecular Properties

Compound Name6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine
PubChem CID79237484
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine
SMILESCCCNC1CCOC2(CCCc3ccc(OC)cc32)C1
InChIInChI=1S/C18H27NO2/c1-3-10-19-15-8-11-21-18(13-15)9-4-5-14-6-7-16(20-2)12-17(14)18/h6-7,12,15,19H,3-5,8-11,13H2,1-2H3
InChIKeyRSEAXUVUMMNKGG-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine?
The IUPAC name of 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine (CID 79237484) is 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine.
What is the SMILES notation for 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine?
The canonical SMILES for 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine is CCCNC1CCOC2(CCCc3ccc(OC)cc32)C1.
What is the InChIKey of 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine?
The InChIKey is RSEAXUVUMMNKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-10-19-15-8-11-21-18(13-15)9-4-5-14-6-7-16(20-2)12-17(14)18/h6-7,12,15,19H,3-5,8-11,13H2,1-2H3.
What are the key properties of 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine?
6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine has a molecular weight of 289.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-amine is sourced from PubChem (CID 79237484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).