2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine

C17H27NO2 — CID 66424740

IUPAC2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccc(C)c(OC)c2)CCC1C
InChIInChI=1S/C17H27NO2/c1-13-5-6-15(11-16(13)20-4)17(8-7-14(17)2)12-18-9-10-19-3/h5-6,11,14,18H,7-10,12H2,1-4H3
InChIKeyODPCRMLNJRYOIG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.91
Rot. Bonds7

About 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine

2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine (PubChem CID 66424740) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
PubChem CID66424740
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccc(C)c(OC)c2)CCC1C
InChIInChI=1S/C17H27NO2/c1-13-5-6-15(11-16(13)20-4)17(8-7-14(17)2)12-18-9-10-19-3/h5-6,11,14,18H,7-10,12H2,1-4H3
InChIKeyODPCRMLNJRYOIG-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.91
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

N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424540
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66424340
N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66425933
N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66426140
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141
2-methoxy-N-[(2-methyl-1-pyridin-3-ylcyclopentyl)methyl]ethanamine
CID 80522892
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66432799
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66424938
N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine (CID 66424740) is 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine is COCCNCC1(c2ccc(C)c(OC)c2)CCC1C.
What is the InChIKey of 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine?
The InChIKey is ODPCRMLNJRYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-5-6-15(11-16(13)20-4)17(8-7-14(17)2)12-18-9-10-19-3/h5-6,11,14,18H,7-10,12H2,1-4H3.
What are the key properties of 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine is sourced from PubChem (CID 66424740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).