3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol

C19H25N3O2 — CID 95313017

IUPAC3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol
SMILESC[C@@H]1CN(c2ccc(CNCc3cccc(O)c3)cn2)C[C@H](C)O1
InChIInChI=1S/C19H25N3O2/c1-14-12-22(13-15(2)24-14)19-7-6-17(11-21-19)10-20-9-16-4-3-5-18(23)8-16/h3-8,11,14-15,20,23H,9-10,12-13H2,1-2H3/t14-,15+
InChIKeyDMYRWUATLJXJFH-GASCZTMLSA-N
MW327.43 g/mol
LogP2.69
Rot. Bonds5

About 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol

3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol (PubChem CID 95313017) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol
PubChem CID95313017
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol
SMILESC[C@@H]1CN(c2ccc(CNCc3cccc(O)c3)cn2)C[C@H](C)O1
InChIInChI=1S/C19H25N3O2/c1-14-12-22(13-15(2)24-14)19-7-6-17(11-21-19)10-20-9-16-4-3-5-18(23)8-16/h3-8,11,14-15,20,23H,9-10,12-13H2,1-2H3/t14-,15+
InChIKeyDMYRWUATLJXJFH-GASCZTMLSA-N
XLogP2.69
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol with MolForge

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Related Compounds

1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid
CID 122053041
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710370
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55747114
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153167

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol?
The IUPAC name of 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol (CID 95313017) is 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol?
The canonical SMILES for 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol is C[C@@H]1CN(c2ccc(CNCc3cccc(O)c3)cn2)C[C@H](C)O1.
What is the InChIKey of 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol?
The InChIKey is DMYRWUATLJXJFH-GASCZTMLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-12-22(13-15(2)24-14)19-7-6-17(11-21-19)10-20-9-16-4-3-5-18(23)8-16/h3-8,11,14-15,20,23H,9-10,12-13H2,1-2H3/t14-,15+.
What are the key properties of 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol?
3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol has a molecular weight of 327.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol is sourced from PubChem (CID 95313017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).