4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline

C19H28N4O2 — CID 99608139

IUPAC4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
SMILESCOc1c(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)nn1C
InChIInChI=1S/C19H28N4O2/c1-13-11-23(12-14(2)25-13)17-8-6-16(7-9-17)20-10-18-15(3)21-22(4)19(18)24-5/h6-9,13-14,20H,10-12H2,1-5H3/t13-,14-/m1/s1
InChIKeyLMMSAIZSNUTCNH-ZIAGYGMSSA-N
MW344.46 g/mol
LogP2.96
Rot. Bonds5

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline (PubChem CID 99608139) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
PubChem CID99608139
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
SMILESCOc1c(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)nn1C
InChIInChI=1S/C19H28N4O2/c1-13-11-23(12-14(2)25-13)17-8-6-16(7-9-17)20-10-18-15(3)21-22(4)19(18)24-5/h6-9,13-14,20H,10-12H2,1-5H3/t13-,14-/m1/s1
InChIKeyLMMSAIZSNUTCNH-ZIAGYGMSSA-N
XLogP2.96
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 115742828
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
CID 115777064
(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone
CID 119111636
3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115628881
3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105336
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
CID 94816988
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
CID 118407332

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline (CID 99608139) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline is COc1c(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)nn1C.
What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
The InChIKey is LMMSAIZSNUTCNH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-11-23(12-14(2)25-13)17-8-6-16(7-9-17)20-10-18-15(3)21-22(4)19(18)24-5/h6-9,13-14,20H,10-12H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline?
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline has a molecular weight of 344.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 99608139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).