3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine

C14H20N2O4 — CID 107943559

IUPAC3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H20N2O4/c1-3-6-19-14-11(15)8-13(14)20-12-7-10(16(17)18)5-4-9(12)2/h4-5,7,11,13-14H,3,6,8,15H2,1-2H3
InChIKeyPDFASJGESMDXRW-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.18
Rot. Bonds6

About 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine

3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943559) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943559
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H20N2O4/c1-3-6-19-14-11(15)8-13(14)20-12-7-10(16(17)18)5-4-9(12)2/h4-5,7,11,13-14H,3,6,8,15H2,1-2H3
InChIKeyPDFASJGESMDXRW-UHFFFAOYSA-N
XLogP2.18
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.18
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-bromo-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943905
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943256
2-ethoxy-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-one
CID 104675169
3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943628
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
2,2-diethyl-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-ol
CID 66343737
3-(2-methyl-5-nitrophenoxy)azetidine
CID 62785560
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943305

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine (CID 107943559) is 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is PDFASJGESMDXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-6-19-14-11(15)8-13(14)20-12-7-10(16(17)18)5-4-9(12)2/h4-5,7,11,13-14H,3,6,8,15H2,1-2H3.
What are the key properties of 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine?
3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).