2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine

C13H18N2O4 — CID 104676428

IUPAC2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-3-18-13-9(14)7-12(13)19-11-5-4-8(2)6-10(11)15(16)17/h4-6,9,12-13H,3,7,14H2,1-2H3
InChIKeyJPJRHNPFGRLGOT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.79
Rot. Bonds5

About 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine

2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine (PubChem CID 104676428) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
PubChem CID104676428
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-3-18-13-9(14)7-12(13)19-11-5-4-8(2)6-10(11)15(16)17/h4-6,9,12-13H,3,7,14H2,1-2H3
InChIKeyJPJRHNPFGRLGOT-UHFFFAOYSA-N
XLogP1.79
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-bromo-2-nitrophenoxy)-2-ethoxycyclobutan-1-amine
CID 104676585
3-(4-methyl-2-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942567
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943256
3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine
CID 104676300
2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol
CID 104675439
3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943628
3-(5-chloro-2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943636
3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943559
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943305
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine (CID 104676428) is 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine is CCOC1C(N)CC1Oc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is JPJRHNPFGRLGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-13-9(14)7-12(13)19-11-5-4-8(2)6-10(11)15(16)17/h4-6,9,12-13H,3,7,14H2,1-2H3.
What are the key properties of 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine?
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 266.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104676428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).