2-[(benzylamino)methyl]-4-pyridin-3-ylphenol

C19H18N2O — CID 26341008

IUPAC2-[(benzylamino)methyl]-4-pyridin-3-ylphenol
SMILESOc1ccc(-c2cccnc2)cc1CNCc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-9-8-16(17-7-4-10-20-13-17)11-18(19)14-21-12-15-5-2-1-3-6-15/h1-11,13,21-22H,12,14H2
InChIKeyGHPGRUSCVDQZKU-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.74
Rot. Bonds5

About 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol

2-[(benzylamino)methyl]-4-pyridin-3-ylphenol (PubChem CID 26341008) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol.

Molecular Properties

Compound Name2-[(benzylamino)methyl]-4-pyridin-3-ylphenol
PubChem CID26341008
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[(benzylamino)methyl]-4-pyridin-3-ylphenol
SMILESOc1ccc(-c2cccnc2)cc1CNCc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-9-8-16(17-7-4-10-20-13-17)11-18(19)14-21-12-15-5-2-1-3-6-15/h1-11,13,21-22H,12,14H2
InChIKeyGHPGRUSCVDQZKU-UHFFFAOYSA-N
XLogP3.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-3-yl-2-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenol
CID 118757685
2-[(benzylamino)methyl]phenol chloride
CID 53350489
2-[(cyclohexylamino)methyl]-4-pyridin-3-ylphenol
CID 42424481
4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 95296775
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
2-[(pyrimidin-5-ylmethylamino)methyl]phenol
CID 115607845
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol?
The IUPAC name of 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol (CID 26341008) is 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol.
What is the SMILES notation for 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol?
The canonical SMILES for 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol is Oc1ccc(-c2cccnc2)cc1CNCc1ccccc1.
What is the InChIKey of 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol?
The InChIKey is GHPGRUSCVDQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19-9-8-16(17-7-4-10-20-13-17)11-18(19)14-21-12-15-5-2-1-3-6-15/h1-11,13,21-22H,12,14H2.
What are the key properties of 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol?
2-[(benzylamino)methyl]-4-pyridin-3-ylphenol has a molecular weight of 290.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methyl]-4-pyridin-3-ylphenol is sourced from PubChem (CID 26341008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).