(2-nitrophenyl)methoxymethanamine

C8H10N2O3 — CID 175012109

IUPAC(2-nitrophenyl)methoxymethanamine
SMILESNCOCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c9-6-13-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6,9H2
InChIKeyPXLKIIXHSNTVCY-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.03
Rot. Bonds4

About (2-nitrophenyl)methoxymethanamine

(2-nitrophenyl)methoxymethanamine (PubChem CID 175012109) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-nitrophenyl)methoxymethanamine.

Molecular Properties

Compound Name(2-nitrophenyl)methoxymethanamine
PubChem CID175012109
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2-nitrophenyl)methoxymethanamine
SMILESNCOCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c9-6-13-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6,9H2
InChIKeyPXLKIIXHSNTVCY-UHFFFAOYSA-N
XLogP1.03
TPSA78.39 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 ≤ 51.03
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'}

Analyze (2-nitrophenyl)methoxymethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
(2-nitrophenyl)methyl sulfite
CID 89385987
(2-nitrophenyl)methyl carbamate
CID 21490181
2-methyl-1-[(2-nitrophenyl)methoxy]butan-2-amine
CID 64572741
(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
3-(2-nitrophenyl)propan-1-amine
CID 15715793
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
(2-nitrophenyl)methyl deuteriophosphanylformate
CID 59423019
(2-nitrophenyl)methanol;3-[(2-nitrophenyl)methoxy]propanal
CID 173315018
4-(2-nitrophenyl)butan-1-amine;hydrochloride
CID 11322189

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methoxymethanamine?
The IUPAC name of (2-nitrophenyl)methoxymethanamine (CID 175012109) is (2-nitrophenyl)methoxymethanamine.
What is the SMILES notation for (2-nitrophenyl)methoxymethanamine?
The canonical SMILES for (2-nitrophenyl)methoxymethanamine is NCOCc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)methoxymethanamine?
The InChIKey is PXLKIIXHSNTVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6-13-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6,9H2.
What are the key properties of (2-nitrophenyl)methoxymethanamine?
(2-nitrophenyl)methoxymethanamine has a molecular weight of 182.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methoxymethanamine is sourced from PubChem (CID 175012109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).