N-methyl-1-(4-nitrophenoxy)methanamine

C8H10N2O3 — CID 58708535

IUPACN-methyl-1-(4-nitrophenoxy)methanamine
SMILESCNCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O3/c1-9-6-13-8-4-2-7(3-5-8)10(11)12/h2-5,9H,6H2,1H3
InChIKeySREJEXOFTZVIIR-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-1-(4-nitrophenoxy)methanamine

N-methyl-1-(4-nitrophenoxy)methanamine (PubChem CID 58708535) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-methyl-1-(4-nitrophenoxy)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-nitrophenoxy)methanamine
PubChem CID58708535
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC NameN-methyl-1-(4-nitrophenoxy)methanamine
SMILESCNCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O3/c1-9-6-13-8-4-2-7(3-5-8)10(11)12/h2-5,9H,6H2,1H3
InChIKeySREJEXOFTZVIIR-UHFFFAOYSA-N
XLogP1.15
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-bromo-N-[(4-nitrophenoxy)methyl]acetamide
CID 54478585
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N-(2-methylsulfanylethyl)-2-(4-nitrophenoxy)ethanamine
CID 63965329
1-nitro-4-octadecoxybenzene
CID 4258205
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
1-nitro-4-[[4-[2-[4-[(4-nitrophenyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]benzene
CID 71425965
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
(2-methylphenyl) N-[(4-nitrophenoxy)methyl]carbamate
CID 21397611
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
1-methoxy-3-(4-nitrophenoxy)propan-2-one
CID 107508000

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitrophenoxy)methanamine?
The IUPAC name of N-methyl-1-(4-nitrophenoxy)methanamine (CID 58708535) is N-methyl-1-(4-nitrophenoxy)methanamine.
What is the SMILES notation for N-methyl-1-(4-nitrophenoxy)methanamine?
The canonical SMILES for N-methyl-1-(4-nitrophenoxy)methanamine is CNCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-1-(4-nitrophenoxy)methanamine?
The InChIKey is SREJEXOFTZVIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9-6-13-8-4-2-7(3-5-8)10(11)12/h2-5,9H,6H2,1H3.
What are the key properties of N-methyl-1-(4-nitrophenoxy)methanamine?
N-methyl-1-(4-nitrophenoxy)methanamine has a molecular weight of 182.18 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitrophenoxy)methanamine is sourced from PubChem (CID 58708535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).