2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol

C15H18N2O2 — CID 111421639

IUPAC2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
SMILESOCCNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C15H18N2O2/c18-9-8-17-11-14-5-1-2-6-15(14)19-12-13-4-3-7-16-10-13/h1-7,10,17-18H,8-9,11-12H2
InChIKeyICCZAUVATUPHHP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds7

About 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol

2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol (PubChem CID 111421639) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
PubChem CID111421639
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
SMILESOCCNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C15H18N2O2/c18-9-8-17-11-14-5-1-2-6-15(14)19-12-13-4-3-7-16-10-13/h1-7,10,17-18H,8-9,11-12H2
InChIKeyICCZAUVATUPHHP-UHFFFAOYSA-N
XLogP1.74
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214024
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 110935707
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol (CID 111421639) is 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol is OCCNCc1ccccc1OCc1cccnc1.
What is the InChIKey of 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol?
The InChIKey is ICCZAUVATUPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-9-8-17-11-14-5-1-2-6-15(14)19-12-13-4-3-7-16-10-13/h1-7,10,17-18H,8-9,11-12H2.
What are the key properties of 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol?
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol has a molecular weight of 258.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 111421639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).