2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

C17H28N2O2 — CID 102742855

IUPAC2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC(C)Oc1cccc(N2CC(C)(C)OC(C)(C)C2)c1N
InChIInChI=1S/C17H28N2O2/c1-12(2)20-14-9-7-8-13(15(14)18)19-10-16(3,4)21-17(5,6)11-19/h7-9,12H,10-11,18H2,1-6H3
InChIKeyMFUIWBQUATXQSF-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.45
Rot. Bonds3

About 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (PubChem CID 102742855) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
PubChem CID102742855
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC(C)Oc1cccc(N2CC(C)(C)OC(C)(C)C2)c1N
InChIInChI=1S/C17H28N2O2/c1-12(2)20-14-9-7-8-13(15(14)18)19-10-16(3,4)21-17(5,6)11-19/h7-9,12H,10-11,18H2,1-6H3
InChIKeyMFUIWBQUATXQSF-UHFFFAOYSA-N
XLogP3.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.45
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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
CID 104957818
2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742805
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
3-(2,2,6,6-tetramethylmorpholin-4-yl)pyridin-2-amine
CID 102742872
(1R)-1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744671
2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
CID 113393421
(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744613
[2-chloro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742908
[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742897
2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline
CID 113392692
3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
CID 117007629
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The IUPAC name of 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (CID 102742855) is 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.
What is the SMILES notation for 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The canonical SMILES for 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is CC(C)Oc1cccc(N2CC(C)(C)OC(C)(C)C2)c1N.
What is the InChIKey of 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The InChIKey is MFUIWBQUATXQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)20-14-9-7-8-13(15(14)18)19-10-16(3,4)21-17(5,6)11-19/h7-9,12H,10-11,18H2,1-6H3.
What are the key properties of 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline has a molecular weight of 292.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is sourced from PubChem (CID 102742855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).