N,N-bis(methoxymethyl)-2-nitroaniline

C10H14N2O4 — CID 142764651

IUPACN,N-bis(methoxymethyl)-2-nitroaniline
SMILESCOCN(COC)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-15-7-11(8-16-2)9-5-3-4-6-10(9)12(13)14/h3-6H,7-8H2,1-2H3
InChIKeyLDPQCWWJEDQOEN-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.61
Rot. Bonds6

About N,N-bis(methoxymethyl)-2-nitroaniline

N,N-bis(methoxymethyl)-2-nitroaniline (PubChem CID 142764651) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N,N-bis(methoxymethyl)-2-nitroaniline.

Molecular Properties

Compound NameN,N-bis(methoxymethyl)-2-nitroaniline
PubChem CID142764651
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN,N-bis(methoxymethyl)-2-nitroaniline
SMILESCOCN(COC)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-15-7-11(8-16-2)9-5-3-4-6-10(9)12(13)14/h3-6H,7-8H2,1-2H3
InChIKeyLDPQCWWJEDQOEN-UHFFFAOYSA-N
XLogP1.61
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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CID 139722585
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2-(2-nitro-N-propylanilino)ethanol
CID 61426021
1-(N-ethyl-2-nitroanilino)propan-2-ol
CID 139729863
3-(N-ethyl-2-nitroanilino)propanoic acid
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N,N-dichloro-2-nitroaniline
CID 13272655
N-benzyl-N-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-nitroaniline
CID 18512147
2-[N-(2,2-dimethylpropyl)-2-nitroanilino]ethanol
CID 71845215
2-nitro-N-(oxiran-2-ylmethyl)-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 20689597
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 7410350
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CID 9182584

Frequently Asked Questions

What is the IUPAC name of N,N-bis(methoxymethyl)-2-nitroaniline?
The IUPAC name of N,N-bis(methoxymethyl)-2-nitroaniline (CID 142764651) is N,N-bis(methoxymethyl)-2-nitroaniline.
What is the SMILES notation for N,N-bis(methoxymethyl)-2-nitroaniline?
The canonical SMILES for N,N-bis(methoxymethyl)-2-nitroaniline is COCN(COC)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N-bis(methoxymethyl)-2-nitroaniline?
The InChIKey is LDPQCWWJEDQOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-7-11(8-16-2)9-5-3-4-6-10(9)12(13)14/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-bis(methoxymethyl)-2-nitroaniline?
N,N-bis(methoxymethyl)-2-nitroaniline has a molecular weight of 226.23 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methoxymethyl)-2-nitroaniline is sourced from PubChem (CID 142764651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).