1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C11H15N3O5 — CID 82724203

IUPAC1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-11(2,3)19-12-7-8-4-5-9(13(15)16)6-10(8)14(17)18/h4-6,12H,7H2,1-3H3
InChIKeyFYWLFSLFYOHZTN-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.32
Rot. Bonds5

About 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82724203) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82724203
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-11(2,3)19-12-7-8-4-5-9(13(15)16)6-10(8)14(17)18/h4-6,12H,7H2,1-3H3
InChIKeyFYWLFSLFYOHZTN-UHFFFAOYSA-N
XLogP2.32
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(2,4-dinitrophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 66221565
N-[(2,4-dinitrophenyl)methyl]-3-methylpentan-2-amine
CID 66223705
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069
N-[(2,4-dinitrophenyl)methyl]-2-methylaniline
CID 66221993
1-cyclobutyl-N-[(2,4-dinitrophenyl)methyl]methanamine
CID 66223273
N-[(2,4-dinitrophenyl)methyl]butan-2-amine
CID 66223271
4-chloro-N-[(2,4-dinitrophenyl)methyl]aniline
CID 66221122
1-[2,2-bis(methylsulfanyl)propyl]-2,4-dinitrobenzene
CID 134881378
2-[(2,4-dinitrophenyl)methylamino]propan-1-ol
CID 66224134
1-[4-[4-(2,4-dinitrophenyl)butoxy]butyl]-2,4-dinitrobenzene
CID 140975215
N-[(2,4-dinitrophenyl)methyl]prop-2-en-1-amine
CID 66222839
N-[(2,4-dinitrophenyl)methyl]-1-methoxybutan-2-amine
CID 66222001

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82724203) is 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CC(C)(C)ONCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is FYWLFSLFYOHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,3)19-12-7-8-4-5-9(13(15)16)6-10(8)14(17)18/h4-6,12H,7H2,1-3H3.
What are the key properties of 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 269.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82724203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).