2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine

C14H20N2O5 — CID 104676461

IUPAC2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H20N2O5/c1-4-20-14-10(15-2)8-13(14)21-11-6-5-9(16(17)18)7-12(11)19-3/h5-7,10,13-15H,4,8H2,1-3H3
InChIKeyXOJUUZJYLKXIET-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.75
Rot. Bonds7

About 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine

2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine (PubChem CID 104676461) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
PubChem CID104676461
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H20N2O5/c1-4-20-14-10(15-2)8-13(14)21-11-6-5-9(16(17)18)7-12(11)19-3/h5-7,10,13-15H,4,8H2,1-3H3
InChIKeyXOJUUZJYLKXIET-UHFFFAOYSA-N
XLogP1.75
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66352664
3-(2,5-difluoro-4-nitrophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676512
1-(3-bromo-2-ethoxycyclobutyl)oxy-2-fluoro-4-nitrobenzene
CID 113439946
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
trans-(1S,2S)-2-(2-methoxy-4-nitrophenoxy)-N,N-dimethylcyclobutan-1-amine
CID 176696572
2-methoxy-3-(2-methoxy-4-nitrophenoxy)cyclobutan-1-one
CID 104673469
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676317
2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633182
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
3-(2-bromo-5-nitrophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 103013202
2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 102703835
N-methyl-3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
CID 107943455

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine (CID 104676461) is 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1Oc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is XOJUUZJYLKXIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-20-14-10(15-2)8-13(14)21-11-6-5-9(16(17)18)7-12(11)19-3/h5-7,10,13-15H,4,8H2,1-3H3.
What are the key properties of 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 296.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104676461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).