2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine

C17H25NO — CID 65008191

IUPAC2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
SMILESCOCCNCC1(c2ccc(C)cc2)CC2(CC2)C1
InChIInChI=1S/C17H25NO/c1-14-3-5-15(6-4-14)17(13-18-9-10-19-2)11-16(12-17)7-8-16/h3-6,18H,7-13H2,1-2H3
InChIKeyBBSUEMLNDZITAU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.04
Rot. Bonds6

About 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine

2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine (PubChem CID 65008191) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
PubChem CID65008191
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
SMILESCOCCNCC1(c2ccc(C)cc2)CC2(CC2)C1
InChIInChI=1S/C17H25NO/c1-14-3-5-15(6-4-14)17(13-18-9-10-19-2)11-16(12-17)7-8-16/h3-6,18H,7-13H2,1-2H3
InChIKeyBBSUEMLNDZITAU-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008662
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
CID 65003420
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008181
N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 65006722
2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
CID 64997529
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine
CID 80525666
N-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014971

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine (CID 65008191) is 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine is COCCNCC1(c2ccc(C)cc2)CC2(CC2)C1.
What is the InChIKey of 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
The InChIKey is BBSUEMLNDZITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-3-5-15(6-4-14)17(13-18-9-10-19-2)11-16(12-17)7-8-16/h3-6,18H,7-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine is sourced from PubChem (CID 65008191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).