2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine

C17H25NO2 — CID 115511120

IUPAC2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine
SMILESCOCCNCC1CC12CCc1ccc(OC)cc1C2
InChIInChI=1S/C17H25NO2/c1-19-8-7-18-12-15-11-17(15)6-5-13-3-4-16(20-2)9-14(13)10-17/h3-4,9,15,18H,5-8,10-12H2,1-2H3
InChIKeyPTOTYOUWMGHRFQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.43
Rot. Bonds6

About 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine

2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine (PubChem CID 115511120) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine
PubChem CID115511120
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine
SMILESCOCCNCC1CC12CCc1ccc(OC)cc1C2
InChIInChI=1S/C17H25NO2/c1-19-8-7-18-12-15-11-17(15)6-5-13-3-4-16(20-2)9-14(13)10-17/h3-4,9,15,18H,5-8,10-12H2,1-2H3
InChIKeyPTOTYOUWMGHRFQ-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine (CID 115511120) is 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine is COCCNCC1CC12CCc1ccc(OC)cc1C2.
What is the InChIKey of 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine?
The InChIKey is PTOTYOUWMGHRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-8-7-18-12-15-11-17(15)6-5-13-3-4-16(20-2)9-14(13)10-17/h3-4,9,15,18H,5-8,10-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine?
2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine is sourced from PubChem (CID 115511120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).