1-(3-methoxy-4-nitrophenyl)azetidin-3-amine

C10H13N3O3 — CID 65249752

IUPAC1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
SMILESCOc1cc(N2CC(N)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-16-10-4-8(12-5-7(11)6-12)2-3-9(10)13(14)15/h2-4,7H,5-6,11H2,1H3
InChIKeyBPDPHTYVAIHEBX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.75
Rot. Bonds3

About 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine

1-(3-methoxy-4-nitrophenyl)azetidin-3-amine (PubChem CID 65249752) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
PubChem CID65249752
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
SMILESCOc1cc(N2CC(N)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-16-10-4-8(12-5-7(11)6-12)2-3-9(10)13(14)15/h2-4,7H,5-6,11H2,1H3
InChIKeyBPDPHTYVAIHEBX-UHFFFAOYSA-N
XLogP0.75
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.75
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

1-(3-methoxy-4-nitrophenyl)-N,N-dimethylazetidin-3-amine
CID 178015607
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834
3-(3-methoxy-4-nitrophenyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 75374166
(3R,4R)-3-fluoro-1-(3-methoxy-4-nitrophenyl)piperidin-4-amine
CID 140575133
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
1-(3-amino-4-nitrophenyl)azetidin-3-amine
CID 106749879
2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
CID 133355928
1-(3-methoxy-4-nitrophenyl)-4-(trifluoromethyl)piperidine
CID 154791771
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
4-[(3S,4R)-1-(3-methoxy-4-nitrophenyl)-4-methylpyrrolidin-3-yl]morpholine
CID 125131031
methyl 4-(3-methoxy-4-nitrophenyl)morpholine-2-carboxylate
CID 79033453
5-methyl-1-(4-nitro-3-propoxyphenyl)piperidin-3-amine
CID 79994363

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine?
The IUPAC name of 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine (CID 65249752) is 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine?
The canonical SMILES for 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine is COc1cc(N2CC(N)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine?
The InChIKey is BPDPHTYVAIHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-10-4-8(12-5-7(11)6-12)2-3-9(10)13(14)15/h2-4,7H,5-6,11H2,1H3.
What are the key properties of 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine?
1-(3-methoxy-4-nitrophenyl)azetidin-3-amine has a molecular weight of 223.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-nitrophenyl)azetidin-3-amine is sourced from PubChem (CID 65249752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).