2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine

C11H15N3O5 — CID 66222006

IUPAC2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-8(6-12-2)19-7-9-3-4-10(13(15)16)5-11(9)14(17)18/h3-5,8,12H,6-7H2,1-2H3
InChIKeyONTJJTNYXMSFHA-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.63
Rot. Bonds7

About 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine

2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine (PubChem CID 66222006) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine
PubChem CID66222006
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-8(6-12-2)19-7-9-3-4-10(13(15)16)5-11(9)14(17)18/h3-5,8,12H,6-7H2,1-2H3
InChIKeyONTJJTNYXMSFHA-UHFFFAOYSA-N
XLogP1.63
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.63
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

(2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid
CID 104875714
2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine
CID 112647871
N-[(2,4-dinitrophenyl)methyl]-3-methylpentan-2-amine
CID 66223705
2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine
CID 106840021
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
CID 5355471
N-[(2,4-dinitrophenyl)methyl]butan-2-amine
CID 66223271
1-[(4-methylphenoxy)methyl]-2,4-dinitrobenzene
CID 66222024
1-N-[(2,4-dinitrophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66221780
1-(2,4-dinitrophenyl)-N-methylpentan-3-amine
CID 66221576
2-[(2,4-dinitrophenyl)methylamino]propan-1-ol
CID 66224134
N'-[(2,4-dinitrophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 66221146

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine?
The IUPAC name of 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine (CID 66222006) is 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine is CNCC(C)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine?
The InChIKey is ONTJJTNYXMSFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-8(6-12-2)19-7-9-3-4-10(13(15)16)5-11(9)14(17)18/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine?
2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine has a molecular weight of 269.26 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 66222006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).