N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine

C9H12N2O4 — CID 60702867

IUPACN-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
SMILESCONCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C9H12N2O4/c1-14-9-4-3-8(11(12)13)5-7(9)6-10-15-2/h3-5,10H,6H2,1-2H3
InChIKeyNUMRSBZDUWFLQG-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.25
Rot. Bonds5

About N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine

N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine (PubChem CID 60702867) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
PubChem CID60702867
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC NameN-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
SMILESCONCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C9H12N2O4/c1-14-9-4-3-8(11(12)13)5-7(9)6-10-15-2/h3-5,10H,6H2,1-2H3
InChIKeyNUMRSBZDUWFLQG-UHFFFAOYSA-N
XLogP1.25
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.25
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-(2-methoxy-5-nitrophenyl)-N-(2-methylpropoxy)methanamine
CID 82714383
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
3-[(2-methoxy-5-nitrophenyl)methylamino]propan-1-ol
CID 43393003
N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
CID 83013548
2,5-difluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43212590
methyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370815
4-[[(2-methoxy-5-nitrophenyl)methylamino]methyl]phenol
CID 114331736

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine?
The IUPAC name of N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine (CID 60702867) is N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine?
The canonical SMILES for N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine is CONCc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine?
The InChIKey is NUMRSBZDUWFLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-14-9-4-3-8(11(12)13)5-7(9)6-10-15-2/h3-5,10H,6H2,1-2H3.
What are the key properties of N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine?
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine has a molecular weight of 212.21 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine is sourced from PubChem (CID 60702867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).