2-[3-(pyridin-4-ylmethylamino)phenyl]phenol

C18H16N2O — CID 142075907

IUPAC2-[3-(pyridin-4-ylmethylamino)phenyl]phenol
SMILESOc1ccccc1-c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C18H16N2O/c21-18-7-2-1-6-17(18)15-4-3-5-16(12-15)20-13-14-8-10-19-11-9-14/h1-12,20-21H,13H2
InChIKeyJAKUKGCHVFMAKX-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.07
Rot. Bonds4

About 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol

2-[3-(pyridin-4-ylmethylamino)phenyl]phenol (PubChem CID 142075907) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol.

Molecular Properties

Compound Name2-[3-(pyridin-4-ylmethylamino)phenyl]phenol
PubChem CID142075907
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[3-(pyridin-4-ylmethylamino)phenyl]phenol
SMILESOc1ccccc1-c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C18H16N2O/c21-18-7-2-1-6-17(18)15-4-3-5-16(12-15)20-13-14-8-10-19-11-9-14/h1-12,20-21H,13H2
InChIKeyJAKUKGCHVFMAKX-UHFFFAOYSA-N
XLogP4.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(pyridin-4-ylmethylamino)phenyl]phenyl]-1-benzothiophene-2-carboxamide
CID 142723974
2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol
CID 68947876
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
2-methyl-4-(pyridin-4-ylmethylamino)phenol
CID 53404095
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
1-[3-(pyridin-4-ylmethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 167807720
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol
CID 63644198
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol?
The IUPAC name of 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol (CID 142075907) is 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol.
What is the SMILES notation for 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol?
The canonical SMILES for 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol is Oc1ccccc1-c1cccc(NCc2ccncc2)c1.
What is the InChIKey of 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol?
The InChIKey is JAKUKGCHVFMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18-7-2-1-6-17(18)15-4-3-5-16(12-15)20-13-14-8-10-19-11-9-14/h1-12,20-21H,13H2.
What are the key properties of 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol?
2-[3-(pyridin-4-ylmethylamino)phenyl]phenol has a molecular weight of 276.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-4-ylmethylamino)phenyl]phenol is sourced from PubChem (CID 142075907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).