1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine

C13H19NO3 — CID 117346957

IUPAC1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(OC)c(OC2CCC2)c1
InChIInChI=1S/C13H19NO3/c1-15-12-7-6-10(9-14-16-2)8-13(12)17-11-4-3-5-11/h6-8,11,14H,3-5,9H2,1-2H3
InChIKeyQSCYKVRTDUYGCA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.28
Rot. Bonds6

About 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine

1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117346957) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
PubChem CID117346957
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(OC)c(OC2CCC2)c1
InChIInChI=1S/C13H19NO3/c1-15-12-7-6-10(9-14-16-2)8-13(12)17-11-4-3-5-11/h6-8,11,14H,3-5,9H2,1-2H3
InChIKeyQSCYKVRTDUYGCA-UHFFFAOYSA-N
XLogP2.28
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-methoxy-1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]methanamine
CID 117426802
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 24955185
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
CID 64749835
1-cyclopentyl-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 110992277
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine (CID 117346957) is 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine is CONCc1ccc(OC)c(OC2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is QSCYKVRTDUYGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-12-7-6-10(9-14-16-2)8-13(12)17-11-4-3-5-11/h6-8,11,14H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine?
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117346957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).