2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine

C20H24N2O4 — CID 133341079

IUPAC2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine
SMILESCOCc1cc([N+](=O)[O-])ccc1N1CCOC(c2ccc(C)cc2C)C1
InChIInChI=1S/C20H24N2O4/c1-14-4-6-18(15(2)10-14)20-12-21(8-9-26-20)19-7-5-17(22(23)24)11-16(19)13-25-3/h4-7,10-11,20H,8-9,12-13H2,1-3H3
InChIKeyAKFFLUURVUXJBX-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.94
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine

2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine (PubChem CID 133341079) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine
PubChem CID133341079
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine
SMILESCOCc1cc([N+](=O)[O-])ccc1N1CCOC(c2ccc(C)cc2C)C1
InChIInChI=1S/C20H24N2O4/c1-14-4-6-18(15(2)10-14)20-12-21(8-9-26-20)19-7-5-17(22(23)24)11-16(19)13-25-3/h4-7,10-11,20H,8-9,12-13H2,1-3H3
InChIKeyAKFFLUURVUXJBX-UHFFFAOYSA-N
XLogP3.94
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

4-[2-(methoxymethyl)-4-nitrophenyl]-2-thiophen-2-ylmorpholine
CID 133363702
3-[2-(methoxymethyl)-4-nitrophenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133341416
tert-butyl 4-[2-(methoxymethyl)-4-nitrophenyl]-2-methylpiperazine-1-carboxylate
CID 118164550
N-[(3S)-1-[2-(methoxymethyl)-4-nitrophenyl]piperidin-3-yl]acetamide
CID 97098495
1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315768
1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
CID 71869593
methyl 2-[4-(2-bromo-4-nitrophenyl)morpholin-2-yl]acetate
CID 79764169
1-[2-[(4-methylphenoxy)methyl]-4-nitrophenyl]-4-methylsulfonylpiperazine
CID 59549070
1-(3-fluoro-4-methoxyphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]piperazine
CID 133348234
2-(2-methylmorpholin-4-yl)-5-nitroaniline
CID 55080390
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-methyl-2-nitrophenyl)morpholine
CID 133390002
[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 126802530

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine (CID 133341079) is 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine is COCc1cc([N+](=O)[O-])ccc1N1CCOC(c2ccc(C)cc2C)C1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine?
The InChIKey is AKFFLUURVUXJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-4-6-18(15(2)10-14)20-12-21(8-9-26-20)19-7-5-17(22(23)24)11-16(19)13-25-3/h4-7,10-11,20H,8-9,12-13H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine?
2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine has a molecular weight of 356.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-[2-(methoxymethyl)-4-nitrophenyl]morpholine is sourced from PubChem (CID 133341079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).