4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline

C17H21N3O — CID 176803233

IUPAC4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(N)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C17H21N3O/c1-12-3-4-15(18)11-16(12)14-9-13(2)19-17(10-14)20-5-7-21-8-6-20/h3-4,9-11H,5-8,18H2,1-2H3
InChIKeyAAVVODLSOBOULK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.78
Rot. Bonds2

About 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline

4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline (PubChem CID 176803233) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
PubChem CID176803233
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(N)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C17H21N3O/c1-12-3-4-15(18)11-16(12)14-9-13(2)19-17(10-14)20-5-7-21-8-6-20/h3-4,9-11H,5-8,18H2,1-2H3
InChIKeyAAVVODLSOBOULK-UHFFFAOYSA-N
XLogP2.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.78
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

3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 162764866
5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methylpyridin-3-amine
CID 168929038
5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methylpyridin-2-amine
CID 58507946
3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
CID 118938849
3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol
CID 166467816
2-cyclopropyl-N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 134380057
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline
CID 90456484
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline
CID 110454136
3-methyl-4-morpholin-4-ylaniline
CID 10607787
3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline
CID 174762954
[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid
CID 134609539

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline?
The IUPAC name of 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline (CID 176803233) is 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline.
What is the SMILES notation for 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline?
The canonical SMILES for 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline is Cc1cc(-c2cc(N)ccc2C)cc(N2CCOCC2)n1.
What is the InChIKey of 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline?
The InChIKey is AAVVODLSOBOULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-3-4-15(18)11-16(12)14-9-13(2)19-17(10-14)20-5-7-21-8-6-20/h3-4,9-11H,5-8,18H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline?
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline has a molecular weight of 283.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline is sourced from PubChem (CID 176803233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).