3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine

C16H24N2O3 — CID 66352230

IUPAC3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2)14(17)9-15(16)21-13-8-10(3)12(18(19)20)7-11(13)4/h7-8,14-15H,5-6,9,17H2,1-4H3
InChIKeyYMRHCGSIXPTLOF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.50
Rot. Bonds5

About 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine

3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine (PubChem CID 66352230) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
PubChem CID66352230
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2)14(17)9-15(16)21-13-8-10(3)12(18(19)20)7-11(13)4/h7-8,14-15H,5-6,9,17H2,1-4H3
InChIKeyYMRHCGSIXPTLOF-UHFFFAOYSA-N
XLogP3.50
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.50
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'}

Analyze 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66352455
3-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
CID 103484351
3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66368090
3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66352678
2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66351324
2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 66357396
3-(4-chloro-2-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66359421
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-fluoro-5-methyl-4-nitrobenzene
CID 114418254
2,2-diethyl-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-ol
CID 66343737
3-(2,4-dimethyl-6-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66351124
3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 66358090
4-bromo-1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-nitrobenzene
CID 66344134

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine (CID 66352230) is 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1cc(C)c([N+](=O)[O-])cc1C.
What is the InChIKey of 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine?
The InChIKey is YMRHCGSIXPTLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-16(6-2)14(17)9-15(16)21-13-8-10(3)12(18(19)20)7-11(13)4/h7-8,14-15H,5-6,9,17H2,1-4H3.
What are the key properties of 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine?
3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine has a molecular weight of 292.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 66352230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).