2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine

C11H16N2O4 — CID 43082616

IUPAC2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
SMILESCOCCNCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H16N2O4/c1-16-6-5-12-8-9-7-10(13(14)15)3-4-11(9)17-2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyXQFAVOMORMJWMC-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.34
Rot. Bonds7

About 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine

2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine (PubChem CID 43082616) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
PubChem CID43082616
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
SMILESCOCCNCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H16N2O4/c1-16-6-5-12-8-9-7-10(13(14)15)3-4-11(9)17-2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyXQFAVOMORMJWMC-UHFFFAOYSA-N
XLogP1.34
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.34
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

N-(2-methoxyethyl)-2-(2-methoxy-5-nitrophenyl)ethanamine
CID 62550623
2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
CID 83210722
3-[(2-methoxy-5-nitrophenyl)methylamino]propan-1-ol
CID 43393003
2-but-3-enoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 106401992
2-[(2-methoxyethylamino)methyl]-5-nitroaniline
CID 68706277
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
4,4,4-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]butan-1-amine
CID 115518236
N-[[2-(2,3-dichloroprop-2-enoxy)-5-nitrophenyl]methyl]-2-methoxyethanamine
CID 79166850
5,5,5-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]pentan-1-amine
CID 115518854
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654
3-[2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83113340
4-[[(2-methoxy-5-nitrophenyl)methylamino]methyl]phenol
CID 114331736

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine (CID 43082616) is 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine is COCCNCc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The InChIKey is XQFAVOMORMJWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-6-5-12-8-9-7-10(13(14)15)3-4-11(9)17-2/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 43082616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).