2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine

C14H20N2O3 — CID 66357396

IUPAC2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-4-14(3)12(15)8-13(14)19-11-7-9(2)5-6-10(11)16(17)18/h5-7,12-13H,4,8,15H2,1-3H3
InChIKeyHGOVMMYLQHGMJG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.80
Rot. Bonds4

About 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine

2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine (PubChem CID 66357396) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
PubChem CID66357396
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-4-14(3)12(15)8-13(14)19-11-7-9(2)5-6-10(11)16(17)18/h5-7,12-13H,4,8,15H2,1-3H3
InChIKeyHGOVMMYLQHGMJG-UHFFFAOYSA-N
XLogP2.80
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66352455
3-(4-chloro-2-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66359421
3-(2,4-dimethyl-6-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66351124
3-bromo-1-(5-methyl-2-nitrophenoxy)spiro[3.5]nonane
CID 66346570
3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66352230
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene
CID 66343707
2-(3-chloro-2,2-diethylcyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343389
2-(3-bromo-2,2-diethylcyclobutyl)oxy-4-chloro-1-nitrobenzene
CID 66344119
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-fluoro-5-methyl-4-nitrobenzene
CID 114418254
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344863
3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66352678

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine (CID 66357396) is 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine is CCC1(C)C(N)CC1Oc1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is HGOVMMYLQHGMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(3)12(15)8-13(14)19-11-7-9(2)5-6-10(11)16(17)18/h5-7,12-13H,4,8,15H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine?
2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66357396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).