N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine

C21H29N3O — CID 124528166

IUPACN-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1CNCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C21H29N3O/c1-16-13-24(14-17(2)25-16)15-21-8-5-4-7-20(21)12-22-11-19-9-6-10-23-18(19)3/h4-10,16-17,22H,11-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyWKLPCOURQQIXOE-IAGOWNOFSA-N
MW339.48 g/mol
LogP3.29
Rot. Bonds6

About N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine

N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine (PubChem CID 124528166) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine
PubChem CID124528166
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1CNCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C21H29N3O/c1-16-13-24(14-17(2)25-16)15-21-8-5-4-7-20(21)12-22-11-19-9-6-10-23-18(19)3/h4-10,16-17,22H,11-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyWKLPCOURQQIXOE-IAGOWNOFSA-N
XLogP3.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine with MolForge

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Related Compounds

1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 124542687
1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 124689981
1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 124694603
4-[[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methylamino]methyl]benzonitrile
CID 94195868
2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine
CID 170588997
3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206039
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
1-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359340
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219889
(2S)-2-[4-[[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methylamino]methyl]phenoxy]propanenitrile
CID 124694580
N-[2-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethyl]propan-2-amine
CID 104961046

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine (CID 124528166) is N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine is Cc1ncccc1CNCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine?
The InChIKey is WKLPCOURQQIXOE-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16-13-24(14-17(2)25-16)15-21-8-5-4-7-20(21)12-22-11-19-9-6-10-23-18(19)3/h4-10,16-17,22H,11-15H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine?
N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine has a molecular weight of 339.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 124528166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).