4-[(isoquinolin-4-ylmethylamino)methyl]phenol

C17H16N2O — CID 115748371

IUPAC4-[(isoquinolin-4-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cncc3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c20-16-7-5-13(6-8-16)9-18-11-15-12-19-10-14-3-1-2-4-17(14)15/h1-8,10,12,18,20H,9,11H2
InChIKeyZXZPLINJNDNVRS-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.23
Rot. Bonds4

About 4-[(isoquinolin-4-ylmethylamino)methyl]phenol

4-[(isoquinolin-4-ylmethylamino)methyl]phenol (PubChem CID 115748371) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(isoquinolin-4-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(isoquinolin-4-ylmethylamino)methyl]phenol
PubChem CID115748371
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(isoquinolin-4-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cncc3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c20-16-7-5-13(6-8-16)9-18-11-15-12-19-10-14-3-1-2-4-17(14)15/h1-8,10,12,18,20H,9,11H2
InChIKeyZXZPLINJNDNVRS-UHFFFAOYSA-N
XLogP3.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(isoquinolin-4-ylmethylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 103823450
1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748158
2-(4-chlorophenyl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748173
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
3-(isoquinolin-4-ylmethylamino)propanoic acid
CID 104503840
1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112702922
N-(isoquinolin-4-ylmethyl)-1-(oxan-4-yl)methanamine
CID 112702944
N-[(3-bromothiophen-2-yl)methyl]-1-isoquinolin-4-ylmethanamine
CID 115748401
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477

Frequently Asked Questions

What is the IUPAC name of 4-[(isoquinolin-4-ylmethylamino)methyl]phenol?
The IUPAC name of 4-[(isoquinolin-4-ylmethylamino)methyl]phenol (CID 115748371) is 4-[(isoquinolin-4-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-[(isoquinolin-4-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-[(isoquinolin-4-ylmethylamino)methyl]phenol is Oc1ccc(CNCc2cncc3ccccc23)cc1.
What is the InChIKey of 4-[(isoquinolin-4-ylmethylamino)methyl]phenol?
The InChIKey is ZXZPLINJNDNVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-16-7-5-13(6-8-16)9-18-11-15-12-19-10-14-3-1-2-4-17(14)15/h1-8,10,12,18,20H,9,11H2.
What are the key properties of 4-[(isoquinolin-4-ylmethylamino)methyl]phenol?
4-[(isoquinolin-4-ylmethylamino)methyl]phenol has a molecular weight of 264.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(isoquinolin-4-ylmethylamino)methyl]phenol is sourced from PubChem (CID 115748371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).