2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine

C15H22N2O4 — CID 104676361

IUPAC2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc([N+](=O)[O-])c2C)C1OCC
InChIInChI=1S/C15H22N2O4/c1-4-16-11-9-14(15(11)20-5-2)21-13-8-6-7-12(10(13)3)17(18)19/h6-8,11,14-16H,4-5,9H2,1-3H3
InChIKeySIQNGICTFHKSEA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.44
Rot. Bonds7

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

2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine (PubChem CID 104676361) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine
PubChem CID104676361
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc([N+](=O)[O-])c2C)C1OCC
InChIInChI=1S/C15H22N2O4/c1-4-16-11-9-14(15(11)20-5-2)21-13-8-6-7-12(10(13)3)17(18)19/h6-8,11,14-16H,4-5,9H2,1-3H3
InChIKeySIQNGICTFHKSEA-UHFFFAOYSA-N
XLogP2.44
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.44
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

1-(3-chloro-2-propoxycyclobutyl)oxy-2-methyl-3-nitrobenzene
CID 107942907
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
CID 104676250
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943256
4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol
CID 55232188
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
3-(2,5-difluoro-4-nitrophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676512
N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
CID 104674218
2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
CID 104676309
4-(2-methyl-3-nitrophenoxy)-1,1-dioxothiolan-3-ol
CID 60880094
3-(4-bromo-2-nitrophenoxy)-2-ethoxycyclobutan-1-amine
CID 104676585

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine (CID 104676361) is 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine is CCNC1CC(Oc2cccc([N+](=O)[O-])c2C)C1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is SIQNGICTFHKSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-16-11-9-14(15(11)20-5-2)21-13-8-6-7-12(10(13)3)17(18)19/h6-8,11,14-16H,4-5,9H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine?
2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 294.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104676361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).