2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine

C13H18N2O5 — CID 102703835

IUPAC2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(OC)ccc2[N+](=O)[O-])C1OC
InChIInChI=1S/C13H18N2O5/c1-14-9-7-12(13(9)19-3)20-11-6-8(18-2)4-5-10(11)15(16)17/h4-6,9,12-14H,7H2,1-3H3
InChIKeyXJPYURSYLRTPRM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.36
Rot. Bonds6

About 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine

2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine (PubChem CID 102703835) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine
PubChem CID102703835
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(OC)ccc2[N+](=O)[O-])C1OC
InChIInChI=1S/C13H18N2O5/c1-14-9-7-12(13(9)19-3)20-11-6-8(18-2)4-5-10(11)15(16)17/h4-6,9,12-14H,7H2,1-3H3
InChIKeyXJPYURSYLRTPRM-UHFFFAOYSA-N
XLogP1.36
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
CID 104674218
3-(3-chloro-4-nitrophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 104674795
2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
CID 102703796
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
2-methoxy-N-methyl-3-phenoxycyclobutan-1-amine
CID 104674319
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
3-(2,5-difluoro-4-nitrophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676512
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
CID 60879534
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
1-(3-bromocyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344436

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine (CID 102703835) is 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2cc(OC)ccc2[N+](=O)[O-])C1OC.
What is the InChIKey of 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is XJPYURSYLRTPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-14-9-7-12(13(9)19-3)20-11-6-8(18-2)4-5-10(11)15(16)17/h4-6,9,12-14H,7H2,1-3H3.
What are the key properties of 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine?
2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 282.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 102703835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).