1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine

C9H12N2O3 — CID 62114292

IUPAC1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine
SMILESCNCc1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C9H12N2O3/c1-10-6-7-3-4-8(11(12)13)9(5-7)14-2/h3-5,10H,6H2,1-2H3
InChIKeyRSKJAAWNULRSLF-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.32
Rot. Bonds4

About 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine

1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine (PubChem CID 62114292) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine
PubChem CID62114292
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine
SMILESCNCc1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C9H12N2O3/c1-10-6-7-3-4-8(11(12)13)9(5-7)14-2/h3-5,10H,6H2,1-2H3
InChIKeyRSKJAAWNULRSLF-UHFFFAOYSA-N
XLogP1.32
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.32
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

1-(3-but-2-enoxy-4-nitrophenyl)-N-methylmethanamine
CID 76935869
1-[3-(cyclopropylmethoxy)-4-nitrophenyl]-N-methylmethanamine
CID 62116913
1-[3-(3-methoxy-3-methylbutoxy)-4-nitrophenyl]-N-methylmethanamine
CID 103032761
N-methyl-1-[4-methyl-3-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 105407132
1-(3-cyclohexyloxy-4-nitrophenyl)-N-methylmethanamine
CID 62115686
N-methyl-1-[4-nitro-3-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 62115688
5-[5-(methylaminomethyl)-2-nitrophenoxy]pentan-1-ol
CID 62227298
2-methoxy-4-(4-methylpentyl)-1-nitrobenzene
CID 160677686
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]-4-nitrophenyl]-N-methylmethanamine
CID 114188720
(3-methoxy-4-nitrophenyl)methanesulfonic acid
CID 139537525
(3-methoxy-4-nitrophenyl)methyl formate
CID 54421390
1-(3-methoxy-4-nitrophenyl)-3-methylbutan-2-one
CID 55233556

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine (CID 62114292) is 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine is CNCc1ccc([N+](=O)[O-])c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine?
The InChIKey is RSKJAAWNULRSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-6-7-3-4-8(11(12)13)9(5-7)14-2/h3-5,10H,6H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine?
1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine has a molecular weight of 196.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine is sourced from PubChem (CID 62114292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).