2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine

C18H20N2O3 — CID 133379665

IUPAC2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine
SMILESCc1cccc([N+](=O)[O-])c1N1CCOC(C)(c2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c1-14-7-6-10-16(20(21)22)17(14)19-11-12-23-18(2,13-19)15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3
InChIKeyJPPRRRCGXNZSPD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds3

About 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine

2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine (PubChem CID 133379665) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine
PubChem CID133379665
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine
SMILESCc1cccc([N+](=O)[O-])c1N1CCOC(C)(c2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c1-14-7-6-10-16(20(21)22)17(14)19-11-12-23-18(2,13-19)15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3
InChIKeyJPPRRRCGXNZSPD-UHFFFAOYSA-N
XLogP3.66
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.66
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'}

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Related Compounds

2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
CID 133379685
1-[4-(2-methyl-2-phenylmorpholin-4-yl)-3-nitrophenyl]ethanone
CID 133379432
[4-(2-methyl-2-phenylmorpholin-4-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133379436
1-(2-methyl-6-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983105
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate
CID 78926201
methyl 2-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]acetate
CID 79764686
(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
CID 102986574
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420103
1-(2-methyl-6-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113333845
3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
CID 115553937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine?
The IUPAC name of 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine (CID 133379665) is 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine.
What is the SMILES notation for 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine?
The canonical SMILES for 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine is Cc1cccc([N+](=O)[O-])c1N1CCOC(C)(c2ccccc2)C1.
What is the InChIKey of 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine?
The InChIKey is JPPRRRCGXNZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14-7-6-10-16(20(21)22)17(14)19-11-12-23-18(2,13-19)15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine?
2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine has a molecular weight of 312.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine is sourced from PubChem (CID 133379665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).