2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol

C18H23N3O2 — CID 167980202

IUPAC2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol
SMILESCc1ccc(CNCc2cccc(N3CCOCC3)n2)cc1O
InChIInChI=1S/C18H23N3O2/c1-14-5-6-15(11-17(14)22)12-19-13-16-3-2-4-18(20-16)21-7-9-23-10-8-21/h2-6,11,19,22H,7-10,12-13H2,1H3
InChIKeyYMORAWUEHWLTHS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol

2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol (PubChem CID 167980202) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol
PubChem CID167980202
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol
SMILESCc1ccc(CNCc2cccc(N3CCOCC3)n2)cc1O
InChIInChI=1S/C18H23N3O2/c1-14-5-6-15(11-17(14)22)12-19-13-16-3-2-4-18(20-16)21-7-9-23-10-8-21/h2-6,11,19,22H,7-10,12-13H2,1H3
InChIKeyYMORAWUEHWLTHS-UHFFFAOYSA-N
XLogP2.22
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol (CID 167980202) is 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol is Cc1ccc(CNCc2cccc(N3CCOCC3)n2)cc1O.
What is the InChIKey of 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol?
The InChIKey is YMORAWUEHWLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-5-6-15(11-17(14)22)12-19-13-16-3-2-4-18(20-16)21-7-9-23-10-8-21/h2-6,11,19,22H,7-10,12-13H2,1H3.
What are the key properties of 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol?
2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol has a molecular weight of 313.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 167980202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).