2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine

C20H24N2O5 — CID 11176211

IUPAC2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
SMILESCCOc1ccccc1OCC1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C20H24N2O5/c1-2-25-19-5-3-4-6-20(19)27-15-18-14-21(11-12-26-18)13-16-7-9-17(10-8-16)22(23)24/h3-10,18H,2,11-15H2,1H3
InChIKeyVPLZBJXTKPDENM-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.27
Rot. Bonds8

About 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine

2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine (PubChem CID 11176211) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
PubChem CID11176211
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
SMILESCCOc1ccccc1OCC1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C20H24N2O5/c1-2-25-19-5-3-4-6-20(19)27-15-18-14-21(11-12-26-18)13-16-7-9-17(10-8-16)22(23)24/h3-10,18H,2,11-15H2,1H3
InChIKeyVPLZBJXTKPDENM-UHFFFAOYSA-N
XLogP3.27
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 79833713
2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 46041237
(2S)-2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 92984994
2-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435040
1-(2-ethoxyphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791208
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
2-[(4-chloro-2-ethoxyphenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane
CID 11338828
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182229
[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine
CID 79163964
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine?
The IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine (CID 11176211) is 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine?
The canonical SMILES for 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine is CCOc1ccccc1OCC1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1.
What is the InChIKey of 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine?
The InChIKey is VPLZBJXTKPDENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-2-25-19-5-3-4-6-20(19)27-15-18-14-21(11-12-26-18)13-16-7-9-17(10-8-16)22(23)24/h3-10,18H,2,11-15H2,1H3.
What are the key properties of 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine?
2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine has a molecular weight of 372.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine is sourced from PubChem (CID 11176211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).