[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine

C10H14N2O4 — CID 62115319

IUPAC[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
SMILESCOCCOc1cc(CN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-15-4-5-16-10-6-8(7-11)2-3-9(10)12(13)14/h2-3,6H,4-5,7,11H2,1H3
InChIKeyAJNZQXLHNMFQKI-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.08
Rot. Bonds6

About [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine

[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine (PubChem CID 62115319) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
PubChem CID62115319
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
SMILESCOCCOc1cc(CN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-15-4-5-16-10-6-8(7-11)2-3-9(10)12(13)14/h2-3,6H,4-5,7,11H2,1H3
InChIKeyAJNZQXLHNMFQKI-UHFFFAOYSA-N
XLogP1.08
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

[3-(3-methoxypropoxy)-4-nitrophenyl]methanamine
CID 62116550
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-nitrophenyl]methanamine
CID 112588168
[4-nitro-3-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 62114795
[3-[2-(2-methylpropoxy)ethoxy]-4-nitrophenyl]methanamine
CID 106450080
[3-(2-ethylsulfonylethoxy)-4-nitrophenyl]methanamine
CID 62116720
3-[5-(aminomethyl)-2-nitrophenoxy]-N-methylpropanamide
CID 55061291
4-[5-(aminomethyl)-2-nitrophenoxy]butan-1-ol
CID 62116714
[4-nitro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanamine
CID 62116368
3-[5-(aminomethyl)-2-nitrophenoxy]-N-ethylpropanamide
CID 62325659
5-[5-(aminomethyl)-2-nitrophenoxy]pentanenitrile
CID 62116895
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
2-[5-(aminomethyl)-2-nitrophenoxy]propanoic acid
CID 62114273

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine?
The IUPAC name of [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine (CID 62115319) is [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine.
What is the SMILES notation for [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine?
The canonical SMILES for [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine is COCCOc1cc(CN)ccc1[N+](=O)[O-].
What is the InChIKey of [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine?
The InChIKey is AJNZQXLHNMFQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-4-5-16-10-6-8(7-11)2-3-9(10)12(13)14/h2-3,6H,4-5,7,11H2,1H3.
What are the key properties of [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine?
[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine has a molecular weight of 226.23 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)-4-nitrophenyl]methanamine is sourced from PubChem (CID 62115319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).