N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine

C11H15N3O3 — CID 80744596

IUPACN-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine
SMILESCOc1cc(N(C)C2CNC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-13(10-6-12-7-10)8-3-9(14(15)16)5-11(4-8)17-2/h3-5,10,12H,6-7H2,1-2H3
InChIKeyFFSFQNDXUFDHSM-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.01
Rot. Bonds4

About N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine

N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine (PubChem CID 80744596) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine
PubChem CID80744596
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine
SMILESCOc1cc(N(C)C2CNC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-13(10-6-12-7-10)8-3-9(14(15)16)5-11(4-8)17-2/h3-5,10,12H,6-7H2,1-2H3
InChIKeyFFSFQNDXUFDHSM-UHFFFAOYSA-N
XLogP1.01
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.01
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

N'-(3-methoxy-5-nitrophenyl)-N,N'-dimethylethane-1,2-diamine
CID 80736689
5-(3-methoxy-N-methyl-5-nitroanilino)pentan-1-ol
CID 107203458
1-[(3-methoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol
CID 114952080
3-[(3-methoxy-5-nitrophenyl)methylsulfanylmethyl]azetidine
CID 81154861
3-methoxy-N,N-dimethyl-5-nitrobenzamide
CID 59352996
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 66185246
N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
CID 66181832
2-[azetidin-3-yl(methyl)amino]-5-nitrobenzonitrile
CID 66183972
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783836
4-[(3-methoxy-5-nitrophenyl)methyl-methylamino]cyclohexan-1-one
CID 81144978
N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 66181419
1-iodo-3,5-dinitrobenzene;1-iodo-3-methoxy-5-nitrobenzene
CID 162138503

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine (CID 80744596) is N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine is COc1cc(N(C)C2CNC2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine?
The InChIKey is FFSFQNDXUFDHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13(10-6-12-7-10)8-3-9(14(15)16)5-11(4-8)17-2/h3-5,10,12H,6-7H2,1-2H3.
What are the key properties of N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine?
N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine has a molecular weight of 237.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 80744596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).