2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine

C18H29NO2 — CID 64997529

IUPAC2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
SMILESCOCCNCC1(c2cc(C)ccc2OC)CC(C)(C)C1
InChIInChI=1S/C18H29NO2/c1-14-6-7-16(21-5)15(10-14)18(11-17(2,3)12-18)13-19-8-9-20-4/h6-7,10,19H,8-9,11-13H2,1-5H3
InChIKeyMRXLBTDFESPIFI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds7

About 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine

2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine (PubChem CID 64997529) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
PubChem CID64997529
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
SMILESCOCCNCC1(c2cc(C)ccc2OC)CC(C)(C)C1
InChIInChI=1S/C18H29NO2/c1-14-6-7-16(21-5)15(10-14)18(11-17(2,3)12-18)13-19-8-9-20-4/h6-7,10,19H,8-9,11-13H2,1-5H3
InChIKeyMRXLBTDFESPIFI-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
CID 65009660
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997846
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
N-[[1-(3,4-dimethoxyphenyl)-3,3-dimethylcyclobutyl]methyl]propan-1-amine
CID 64998019
N-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 131427745
[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine
CID 65005141
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine (CID 64997529) is 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine is COCCNCC1(c2cc(C)ccc2OC)CC(C)(C)C1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine?
The InChIKey is MRXLBTDFESPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-6-7-16(21-5)15(10-14)18(11-17(2,3)12-18)13-19-8-9-20-4/h6-7,10,19H,8-9,11-13H2,1-5H3.
What are the key properties of 2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.30, 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-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine is sourced from PubChem (CID 64997529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).