N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine

C11H16N2O4 — CID 82714520

IUPACN-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine
SMILESCOCCONC(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O4/c1-9(12-17-8-7-16-2)10-3-5-11(6-4-10)13(14)15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyHVQKSHYUYJIPRH-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.82
Rot. Bonds7

About N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine

N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine (PubChem CID 82714520) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine
PubChem CID82714520
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine
SMILESCOCCONC(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O4/c1-9(12-17-8-7-16-2)10-3-5-11(6-4-10)13(14)15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyHVQKSHYUYJIPRH-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea
CID 112696558
1-(1-chloro-3-methoxypropyl)-4-nitrobenzene
CID 23269240
4-methyl-N-[1-(4-nitrophenyl)ethyl]pentan-1-amine
CID 54914062
(1R)-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 81367242
N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 43297287
2-[1-(4-nitrophenyl)ethylamino]ethyl carbamate
CID 83210126
3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702465
2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
CID 113220606

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine (CID 82714520) is N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine is COCCONC(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine?
The InChIKey is HVQKSHYUYJIPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-9(12-17-8-7-16-2)10-3-5-11(6-4-10)13(14)15/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine?
N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 82714520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).