3-[(pyridin-4-ylmethylamino)methyl]phenol

C13H14N2O — CID 28670291

IUPAC3-[(pyridin-4-ylmethylamino)methyl]phenol
SMILESOc1cccc(CNCc2ccncc2)c1
InChIInChI=1S/C13H14N2O/c16-13-3-1-2-12(8-13)10-15-9-11-4-6-14-7-5-11/h1-8,15-16H,9-10H2
InChIKeyRSXSJMSASXLVOY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.08
Rot. Bonds4

About 3-[(pyridin-4-ylmethylamino)methyl]phenol

3-[(pyridin-4-ylmethylamino)methyl]phenol (PubChem CID 28670291) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[(pyridin-4-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(pyridin-4-ylmethylamino)methyl]phenol
PubChem CID28670291
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[(pyridin-4-ylmethylamino)methyl]phenol
SMILESOc1cccc(CNCc2ccncc2)c1
InChIInChI=1S/C13H14N2O/c16-13-3-1-2-12(8-13)10-15-9-11-4-6-14-7-5-11/h1-8,15-16H,9-10H2
InChIKeyRSXSJMSASXLVOY-UHFFFAOYSA-N
XLogP2.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(pyridin-4-ylmethylamino)methyl]phenol?
The IUPAC name of 3-[(pyridin-4-ylmethylamino)methyl]phenol (CID 28670291) is 3-[(pyridin-4-ylmethylamino)methyl]phenol.
What is the SMILES notation for 3-[(pyridin-4-ylmethylamino)methyl]phenol?
The canonical SMILES for 3-[(pyridin-4-ylmethylamino)methyl]phenol is Oc1cccc(CNCc2ccncc2)c1.
What is the InChIKey of 3-[(pyridin-4-ylmethylamino)methyl]phenol?
The InChIKey is RSXSJMSASXLVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-3-1-2-12(8-13)10-15-9-11-4-6-14-7-5-11/h1-8,15-16H,9-10H2.
What are the key properties of 3-[(pyridin-4-ylmethylamino)methyl]phenol?
3-[(pyridin-4-ylmethylamino)methyl]phenol has a molecular weight of 214.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyridin-4-ylmethylamino)methyl]phenol is sourced from PubChem (CID 28670291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).