3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine

C12H16N2O4 — CID 66352664

IUPAC3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc([N+](=O)[O-])cc2OC)C1
InChIInChI=1S/C12H16N2O4/c1-13-8-5-10(6-8)18-11-4-3-9(14(15)16)7-12(11)17-2/h3-4,7-8,10,13H,5-6H2,1-2H3
InChIKeyUKTPFIIMJGETTR-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.73
Rot. Bonds5

About 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine

3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine (PubChem CID 66352664) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
PubChem CID66352664
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc([N+](=O)[O-])cc2OC)C1
InChIInChI=1S/C12H16N2O4/c1-13-8-5-10(6-8)18-11-4-3-9(14(15)16)7-12(11)17-2/h3-4,7-8,10,13H,5-6H2,1-2H3
InChIKeyUKTPFIIMJGETTR-UHFFFAOYSA-N
XLogP1.73
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.73
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-(2-chloro-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66357280
2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 104676461
2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826250
3-(2-bromo-5-nitrophenoxy)-N-ethylcyclobutan-1-amine
CID 103013152
2-methoxy-3-(2-methoxy-4-nitrophenoxy)cyclobutan-1-one
CID 104673469
trans-(1S,2S)-2-(2-methoxy-4-nitrophenoxy)-N,N-dimethylcyclobutan-1-amine
CID 176696572
N-(2-methoxy-5-nitrophenyl)-1,1-dioxothian-4-amine
CID 43717817
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-(2-methoxy-4-nitrophenyl)-5-methylthiolan-3-amine
CID 79942640
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
N-(2-methoxy-4-nitrophenyl)oxepan-4-amine
CID 65081486
1-N-(2-methoxy-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458282

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine (CID 66352664) is 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2ccc([N+](=O)[O-])cc2OC)C1.
What is the InChIKey of 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is UKTPFIIMJGETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-13-8-5-10(6-8)18-11-4-3-9(14(15)16)7-12(11)17-2/h3-4,7-8,10,13H,5-6H2,1-2H3.
What are the key properties of 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine?
3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 252.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66352664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).