2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine

C14H22N2O5 — CID 104562118

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCOCCOCCOCCNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N2O5/c1-19-8-9-21-11-10-20-7-6-15-12-13-4-2-3-5-14(13)16(17)18/h2-5,15H,6-12H2,1H3
InChIKeyBSDQEJLBJWTWOZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.36
Rot. Bonds12

About 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine

2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine (PubChem CID 104562118) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
PubChem CID104562118
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCOCCOCCOCCNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N2O5/c1-19-8-9-21-11-10-20-7-6-15-12-13-4-2-3-5-14(13)16(17)18/h2-5,15H,6-12H2,1H3
InChIKeyBSDQEJLBJWTWOZ-UHFFFAOYSA-N
XLogP1.36
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-2-(2-nitrophenyl)ethanamine
CID 82722032
2-methoxy-N-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402631
3-(2-methylpropoxy)-N-[(2-nitrophenyl)methyl]propan-1-amine
CID 28681887
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
N-[(4-bromo-2-nitrophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 114381520
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
2-[2-[(2-nitrophenyl)methylamino]ethoxy]benzoic acid
CID 71156702
N-[(2-nitrophenyl)methyl]nonan-1-amine
CID 60669264
N-[(2-bromo-3-nitrophenyl)methyl]-4-methoxybutan-1-amine
CID 114048741
2-[(4-methoxybutylamino)methyl]-6-nitrobenzoic acid
CID 103244330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine (CID 104562118) is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine is COCCOCCOCCNCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine?
The InChIKey is BSDQEJLBJWTWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-19-8-9-21-11-10-20-7-6-15-12-13-4-2-3-5-14(13)16(17)18/h2-5,15H,6-12H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine?
2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine has a molecular weight of 298.34 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 104562118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).