4-(2-nitro-5-propan-2-ylphenyl)morpholine

C13H18N2O3 — CID 155136667

IUPAC4-(2-nitro-5-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-10(2)11-3-4-12(15(16)17)13(9-11)14-5-7-18-8-6-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCEIYWXMMHWPPOL-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.55
Rot. Bonds3

About 4-(2-nitro-5-propan-2-ylphenyl)morpholine

4-(2-nitro-5-propan-2-ylphenyl)morpholine (PubChem CID 155136667) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-nitro-5-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-nitro-5-propan-2-ylphenyl)morpholine
PubChem CID155136667
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(2-nitro-5-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-10(2)11-3-4-12(15(16)17)13(9-11)14-5-7-18-8-6-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCEIYWXMMHWPPOL-UHFFFAOYSA-N
XLogP2.55
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-nitro-5-propan-2-ylphenyl)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

4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
1-(2-methoxyethyl)-4-(2-nitro-5-propan-2-ylphenyl)piperazine
CID 168729115
N-(4-morpholin-4-yl-3-nitrophenyl)-4-propan-2-ylbenzamide
CID 17127057
1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 3642140
2-morpholin-4-yl-3-nitro-5-propan-2-ylaniline
CID 22752979
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
1-(2-nitro-4-propan-2-ylphenyl)piperazine
CID 146771936
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
CID 2866183
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitro-5-propan-2-ylphenyl)morpholine?
The IUPAC name of 4-(2-nitro-5-propan-2-ylphenyl)morpholine (CID 155136667) is 4-(2-nitro-5-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 4-(2-nitro-5-propan-2-ylphenyl)morpholine?
The canonical SMILES for 4-(2-nitro-5-propan-2-ylphenyl)morpholine is CC(C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1.
What is the InChIKey of 4-(2-nitro-5-propan-2-ylphenyl)morpholine?
The InChIKey is CEIYWXMMHWPPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)11-3-4-12(15(16)17)13(9-11)14-5-7-18-8-6-14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(2-nitro-5-propan-2-ylphenyl)morpholine?
4-(2-nitro-5-propan-2-ylphenyl)morpholine has a molecular weight of 250.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitro-5-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 155136667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).