N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine

C14H20N2O4 — CID 104674218

IUPACN-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc([N+](=O)[O-])c(C)c2)C1OC
InChIInChI=1S/C14H20N2O4/c1-4-15-11-8-13(14(11)19-3)20-10-5-6-12(16(17)18)9(2)7-10/h5-7,11,13-15H,4,8H2,1-3H3
InChIKeyBIWZUJLPCRMHAP-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.05
Rot. Bonds6

About N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine

N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine (PubChem CID 104674218) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
PubChem CID104674218
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc([N+](=O)[O-])c(C)c2)C1OC
InChIInChI=1S/C14H20N2O4/c1-4-15-11-8-13(14(11)19-3)20-10-5-6-12(16(17)18)9(2)7-10/h5-7,11,13-15H,4,8H2,1-3H3
InChIKeyBIWZUJLPCRMHAP-UHFFFAOYSA-N
XLogP2.05
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.05
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-(3-chloro-4-nitrophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 104674795
N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104675018
4-(3-bromo-2-methoxycyclobutyl)oxy-1-methyl-2-nitrobenzene
CID 114252636
2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 102703835
4-(3-bromocyclobutyl)oxy-2-methyl-1-nitrobenzene
CID 66343559
4-(3-methyl-4-nitrophenoxy)pyrrolidin-3-ol
CID 63703701
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine
CID 104676361
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine (CID 104674218) is N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine is CCNC1CC(Oc2ccc([N+](=O)[O-])c(C)c2)C1OC.
What is the InChIKey of N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is BIWZUJLPCRMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-15-11-8-13(14(11)19-3)20-10-5-6-12(16(17)18)9(2)7-10/h5-7,11,13-15H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine?
N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104674218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).