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

C17H25NO2 — CID 79248469

IUPAC2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
SMILESCOCCNCC1CC12CCCc1ccc(OC)cc12
InChIInChI=1S/C17H25NO2/c1-19-9-8-18-12-14-11-17(14)7-3-4-13-5-6-15(20-2)10-16(13)17/h5-6,10,14,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyISBFZANHRXMFFH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.53
Rot. Bonds6

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

2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine (PubChem CID 79248469) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
PubChem CID79248469
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
SMILESCOCCNCC1CC12CCCc1ccc(OC)cc12
InChIInChI=1S/C17H25NO2/c1-19-9-8-18-12-14-11-17(14)7-3-4-13-5-6-15(20-2)10-16(13)17/h5-6,10,14,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyISBFZANHRXMFFH-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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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Related Compounds

2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 115511120
N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine
CID 79374306
2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 81351637
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
1-(aminomethyl)-7-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79247744
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
2-methyl-N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)propan-1-amine
CID 62713354
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
7-methoxy-2-[(2-methoxyethylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511140
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine (CID 79248469) is 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine is COCCNCC1CC12CCCc1ccc(OC)cc12.
What is the InChIKey of 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine?
The InChIKey is ISBFZANHRXMFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-9-8-18-12-14-11-17(14)7-3-4-13-5-6-15(20-2)10-16(13)17/h5-6,10,14,18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine?
2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 2.53, 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[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine is sourced from PubChem (CID 79248469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).