(3-methoxy-4-nitrophenyl)methanamine

C8H10N2O3 — CID 10559329

IUPAC(3-methoxy-4-nitrophenyl)methanamine
SMILESCOc1cc(CN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-13-8-4-6(5-9)2-3-7(8)10(11)12/h2-4H,5,9H2,1H3
InChIKeyMYKAZHUXAFBMQZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.06
Rot. Bonds3

About (3-methoxy-4-nitrophenyl)methanamine

(3-methoxy-4-nitrophenyl)methanamine (PubChem CID 10559329) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (3-methoxy-4-nitrophenyl)methanamine.

Molecular Properties

Compound Name(3-methoxy-4-nitrophenyl)methanamine
PubChem CID10559329
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(3-methoxy-4-nitrophenyl)methanamine
SMILESCOc1cc(CN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-13-8-4-6(5-9)2-3-7(8)10(11)12/h2-4H,5,9H2,1H3
InChIKeyMYKAZHUXAFBMQZ-UHFFFAOYSA-N
XLogP1.06
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-Methyl-4-nitroanisole
CID 79330
1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
2,5-Dimethoxy-4-nitrophenethylamine
CID 10036637
3-Methyl-2-nitroanisole
CID 79291
5-Methyl-2-nitroanisole
CID 97455
Benzene, 1-methoxy-5-methyl-2,4-dinitro-
CID 77156
2,5-Dimethoxy-4-nitroamphetamine
CID 105432
Benzeneethanamine, 2,5-dimethoxy-alpha-methyl-4-nitro-, (alphaR)-
CID 54580952
(E)-3-Methoxy-4'-nitrostilbene
CID 6440430
2-Methyl-6-nitroanisole
CID 297001
3-Methoxy-4-nitrobenzamide
CID 11063338
2-Methoxy-p-toluidine
CID 170219

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-nitrophenyl)methanamine?
The IUPAC name of (3-methoxy-4-nitrophenyl)methanamine (CID 10559329) is (3-methoxy-4-nitrophenyl)methanamine.
What is the SMILES notation for (3-methoxy-4-nitrophenyl)methanamine?
The canonical SMILES for (3-methoxy-4-nitrophenyl)methanamine is COc1cc(CN)ccc1[N+](=O)[O-].
What is the InChIKey of (3-methoxy-4-nitrophenyl)methanamine?
The InChIKey is MYKAZHUXAFBMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8-4-6(5-9)2-3-7(8)10(11)12/h2-4H,5,9H2,1H3.
What are the key properties of (3-methoxy-4-nitrophenyl)methanamine?
(3-methoxy-4-nitrophenyl)methanamine has a molecular weight of 182.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-nitrophenyl)methanamine is sourced from PubChem (CID 10559329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).