4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine

C19H22N2O5 — CID 77271766

IUPAC4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
SMILESCOc1ccc(CN2CCOC(c3ccc([N+](=O)[O-])cc3)C2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-24-17-8-5-15(18(11-17)25-2)12-20-9-10-26-19(13-20)14-3-6-16(7-4-14)21(22)23/h3-8,11,19H,9-10,12-13H2,1-2H3
InChIKeySTLXXOTVLUWZTP-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.19
Rot. Bonds6

About 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine

4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine (PubChem CID 77271766) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
PubChem CID77271766
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
SMILESCOc1ccc(CN2CCOC(c3ccc([N+](=O)[O-])cc3)C2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-24-17-8-5-15(18(11-17)25-2)12-20-9-10-26-19(13-20)14-3-6-16(7-4-14)21(22)23/h3-8,11,19H,9-10,12-13H2,1-2H3
InChIKeySTLXXOTVLUWZTP-UHFFFAOYSA-N
XLogP3.19
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.19
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'}

Analyze 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
[4-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 87367870
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
1-[(2,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2838017
7,13-bis[(2-methoxy-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 72950986
1-[(2-methoxy-4-nitrophenyl)methyl]pyrrolidin-3-amine
CID 90893966
4-[(2,4-dimethoxyphenyl)methyl]-3-(4-nitrophenyl)-5-oxomorpholine-2-carboxylic acid
CID 174188144
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
1-[(2-methoxy-4-nitrophenyl)methyl]-4-methylpiperazine
CID 57421477
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine (CID 77271766) is 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine is COc1ccc(CN2CCOC(c3ccc([N+](=O)[O-])cc3)C2)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine?
The InChIKey is STLXXOTVLUWZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-17-8-5-15(18(11-17)25-2)12-20-9-10-26-19(13-20)14-3-6-16(7-4-14)21(22)23/h3-8,11,19H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine?
4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine has a molecular weight of 358.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine is sourced from PubChem (CID 77271766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).