N-methyl-1-[(3-nitrophenyl)methoxy]methanamine

C9H12N2O3 — CID 175338015

IUPACN-methyl-1-[(3-nitrophenyl)methoxy]methanamine
SMILESCNCOCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-10-7-14-6-8-3-2-4-9(5-8)11(12)13/h2-5,10H,6-7H2,1H3
InChIKeyWOMMALOQTQNOTF-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.29
Rot. Bonds5

About N-methyl-1-[(3-nitrophenyl)methoxy]methanamine

N-methyl-1-[(3-nitrophenyl)methoxy]methanamine (PubChem CID 175338015) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-methyl-1-[(3-nitrophenyl)methoxy]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3-nitrophenyl)methoxy]methanamine
PubChem CID175338015
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-methyl-1-[(3-nitrophenyl)methoxy]methanamine
SMILESCNCOCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-10-7-14-6-8-3-2-4-9(5-8)11(12)13/h2-5,10H,6-7H2,1H3
InChIKeyWOMMALOQTQNOTF-UHFFFAOYSA-N
XLogP1.29
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
N-[(3-nitrophenyl)methoxy]propan-1-amine
CID 176640003
3-[(3-nitrophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62341856
N-methyl-1-[(3-methylphenyl)methoxy]methanamine
CID 142182109
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
3-[(3-nitrophenyl)methoxy]propane-1,2-diol
CID 56629531
1-methyl-3-[(3-nitrophenyl)methyl]benzene
CID 18724473
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571808
1-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-nitrophenyl)methoxy]methanamine?
The IUPAC name of N-methyl-1-[(3-nitrophenyl)methoxy]methanamine (CID 175338015) is N-methyl-1-[(3-nitrophenyl)methoxy]methanamine.
What is the SMILES notation for N-methyl-1-[(3-nitrophenyl)methoxy]methanamine?
The canonical SMILES for N-methyl-1-[(3-nitrophenyl)methoxy]methanamine is CNCOCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-1-[(3-nitrophenyl)methoxy]methanamine?
The InChIKey is WOMMALOQTQNOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-7-14-6-8-3-2-4-9(5-8)11(12)13/h2-5,10H,6-7H2,1H3.
What are the key properties of N-methyl-1-[(3-nitrophenyl)methoxy]methanamine?
N-methyl-1-[(3-nitrophenyl)methoxy]methanamine has a molecular weight of 196.21 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-nitrophenyl)methoxy]methanamine is sourced from PubChem (CID 175338015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).