2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine

C14H20N2O4 — CID 104674385

IUPAC2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc([N+](=O)[O-])c2)C1OC
InChIInChI=1S/C14H20N2O4/c1-3-7-15-12-9-13(14(12)19-2)20-11-6-4-5-10(8-11)16(17)18/h4-6,8,12-15H,3,7,9H2,1-2H3
InChIKeyZKVYUZYHKJPMCS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.13
Rot. Bonds7

About 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine

2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine (PubChem CID 104674385) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine
PubChem CID104674385
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc([N+](=O)[O-])c2)C1OC
InChIInChI=1S/C14H20N2O4/c1-3-7-15-12-9-13(14(12)19-2)20-11-6-4-5-10(8-11)16(17)18/h4-6,8,12-15H,3,7,9H2,1-2H3
InChIKeyZKVYUZYHKJPMCS-UHFFFAOYSA-N
XLogP2.13
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.13
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-methoxy-N-propylcyclobutan-1-amine
CID 103013202
3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104675018
3-(3-chloro-4-nitrophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 104674795
3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674643
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
2-ethoxy-3-(3-nitrophenoxy)cyclobutan-1-one
CID 113439855
2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
CID 104676250
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-3-nitrobenzene
CID 66346535
methyl (3R,4S)-4-(3-nitrophenoxy)pyrrolidine-3-carboxylate
CID 142424397
2-(3-nitrophenoxy)cyclopentan-1-ol
CID 60878979
1-(3-bromo-2,2-dimethylcyclobutyl)oxy-3-nitrobenzene
CID 66346117
(2S)-2-(3-nitrophenoxy)-N-propylpropanamide
CID 8956680

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine (CID 104674385) is 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cccc([N+](=O)[O-])c2)C1OC.
What is the InChIKey of 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is ZKVYUZYHKJPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-7-15-12-9-13(14(12)19-2)20-11-6-4-5-10(8-11)16(17)18/h4-6,8,12-15H,3,7,9H2,1-2H3.
What are the key properties of 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine?
2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).