2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine

C17H25NO — CID 62712841

IUPAC2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
SMILESCOCCNCC1CC12CCCCc1ccccc12
InChIInChI=1S/C17H25NO/c1-19-11-10-18-13-15-12-17(15)9-5-4-7-14-6-2-3-8-16(14)17/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3
InChIKeyOCUANJTVMZHACS-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.91
Rot. Bonds5

About 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine

2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine (PubChem CID 62712841) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
PubChem CID62712841
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
SMILESCOCCNCC1CC12CCCCc1ccccc12
InChIInChI=1S/C17H25NO/c1-19-11-10-18-13-15-12-17(15)9-5-4-7-14-6-2-3-8-16(14)17/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3
InChIKeyOCUANJTVMZHACS-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 79248469
2-methyl-N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)propan-1-amine
CID 62713354
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
CID 99695886
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
CID 62718320
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 97055666
[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol
CID 97055664
2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine
CID 107897420
3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
CID 153095683

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine (CID 62712841) is 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine is COCCNCC1CC12CCCCc1ccccc12.
What is the InChIKey of 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine?
The InChIKey is OCUANJTVMZHACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-11-10-18-13-15-12-17(15)9-5-4-7-14-6-2-3-8-16(14)17/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3.
What are the key properties of 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine?
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine is sourced from PubChem (CID 62712841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).