[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine

C15H23NO2 — CID 114157330

IUPAC[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COCCC2CCC2)cc1CN
InChIInChI=1S/C15H23NO2/c1-17-15-6-5-13(9-14(15)10-16)11-18-8-7-12-3-2-4-12/h5-6,9,12H,2-4,7-8,10-11,16H2,1H3
InChIKeyZPHAWOMTWFJOBU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.86
Rot. Bonds7

About [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine

[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine (PubChem CID 114157330) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
PubChem CID114157330
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COCCC2CCC2)cc1CN
InChIInChI=1S/C15H23NO2/c1-17-15-6-5-13(9-14(15)10-16)11-18-8-7-12-3-2-4-12/h5-6,9,12H,2-4,7-8,10-11,16H2,1H3
InChIKeyZPHAWOMTWFJOBU-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.86
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

[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106202148
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 106202006
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721

Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine (CID 114157330) is [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine is COc1ccc(COCCC2CCC2)cc1CN.
What is the InChIKey of [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine?
The InChIKey is ZPHAWOMTWFJOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-15-6-5-13(9-14(15)10-16)11-18-8-7-12-3-2-4-12/h5-6,9,12H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine?
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 114157330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).