2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline

C13H20N2O2 — CID 113392523

IUPAC2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline
SMILESCOc1cccc(N2CC(C)OCC2C)c1N
InChIInChI=1S/C13H20N2O2/c1-9-8-17-10(2)7-15(9)11-5-4-6-12(16-3)13(11)14/h4-6,9-10H,7-8,14H2,1-3H3
InChIKeyVOWMHACKFQGPQP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.89
Rot. Bonds2

About 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline

2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline (PubChem CID 113392523) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline
PubChem CID113392523
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline
SMILESCOc1cccc(N2CC(C)OCC2C)c1N
InChIInChI=1S/C13H20N2O2/c1-9-8-17-10(2)7-15(9)11-5-4-6-12(16-3)13(11)14/h4-6,9-10H,7-8,14H2,1-3H3
InChIKeyVOWMHACKFQGPQP-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline
CID 63598870
2-(2,5-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 43544898
2-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43544651
2-(2,5-dimethylmorpholin-4-yl)benzonitrile
CID 43429898
[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777389
4-(2,5-dimethylmorpholin-4-yl)quinolin-8-amine
CID 83060956
[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43544860
(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55185193
2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide
CID 115545096
2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 113392728
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110637730

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline (CID 113392523) is 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline is COc1cccc(N2CC(C)OCC2C)c1N.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline?
The InChIKey is VOWMHACKFQGPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-8-17-10(2)7-15(9)11-5-4-6-12(16-3)13(11)14/h4-6,9-10H,7-8,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline?
2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline has a molecular weight of 236.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline is sourced from PubChem (CID 113392523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).