3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C16H24N2O3 — CID 66352678

IUPAC3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H24N2O3/c1-6-16(4)14(17-5)9-15(16)21-13-8-10(2)12(18(19)20)7-11(13)3/h7-8,14-15,17H,6,9H2,1-5H3
InChIKeySOUHSWVKFHSESH-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.37
Rot. Bonds5

About 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 66352678) 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-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID66352678
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H24N2O3/c1-6-16(4)14(17-5)9-15(16)21-13-8-10(2)12(18(19)20)7-11(13)3/h7-8,14-15,17H,6,9H2,1-5H3
InChIKeySOUHSWVKFHSESH-UHFFFAOYSA-N
XLogP3.37
TPSA64.40 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 ≤ 53.37
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-(2-chloro-5-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66353129
3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66368090
3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66352230
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-fluoro-5-methyl-4-nitrobenzene
CID 114418254
3-(2-bromo-6-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81499335
2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 66357396
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357504
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1,5-dimethyl-3-nitrobenzene
CID 66344736
3-(2,4-dimethyl-6-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66351124
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 66352678) is 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1Oc1cc(C)c([N+](=O)[O-])cc1C.
What is the InChIKey of 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is SOUHSWVKFHSESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-16(4)14(17-5)9-15(16)21-13-8-10(2)12(18(19)20)7-11(13)3/h7-8,14-15,17H,6,9H2,1-5H3.
What are the key properties of 3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 292.38 g/mol, XLogP of 3.37, 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-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66352678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).