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

C13H18N2O4 — CID 107943256

IUPAC3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-7-18-13-9(14)8-12(13)19-11-6-4-3-5-10(11)15(16)17/h3-6,9,12-13H,2,7-8,14H2,1H3
InChIKeyYLODRAGFKATWSN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.87
Rot. Bonds6

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

3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943256) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943256
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-7-18-13-9(14)8-12(13)19-11-6-4-3-5-10(11)15(16)17/h3-6,9,12-13H,2,7-8,14H2,1H3
InChIKeyYLODRAGFKATWSN-UHFFFAOYSA-N
XLogP1.87
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.87
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'}

Analyze 3-(2-nitrophenoxy)-2-propoxycyclobutan-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-(5-chloro-2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943636
3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943559
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
3-(2-bromo-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943905
1-(3-chloro-2-propoxycyclobutyl)oxy-2-methyl-3-nitrobenzene
CID 107942907
3-(4-bromo-2-nitrophenoxy)-2-ethoxycyclobutan-1-amine
CID 104676585
3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943628
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
3-(4-methyl-2-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942567
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine (CID 107943256) is 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is YLODRAGFKATWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-7-18-13-9(14)8-12(13)19-11-6-4-3-5-10(11)15(16)17/h3-6,9,12-13H,2,7-8,14H2,1H3.
What are the key properties of 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine?
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 266.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).