isoquinolin-5-yl(phenyl)methanamine

C16H14N2 — CID 55118760

IUPACisoquinolin-5-yl(phenyl)methanamine
SMILESNC(c1ccccc1)c1cccc2cnccc12
InChIInChI=1S/C16H14N2/c17-16(12-5-2-1-3-6-12)15-8-4-7-13-11-18-10-9-14(13)15/h1-11,16H,17H2
InChIKeyGVDCLYNSMOSYFN-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.28
Rot. Bonds2

About isoquinolin-5-yl(phenyl)methanamine

isoquinolin-5-yl(phenyl)methanamine (PubChem CID 55118760) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is isoquinolin-5-yl(phenyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-5-yl(phenyl)methanamine
PubChem CID55118760
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Nameisoquinolin-5-yl(phenyl)methanamine
SMILESNC(c1ccccc1)c1cccc2cnccc12
InChIInChI=1S/C16H14N2/c17-16(12-5-2-1-3-6-12)15-8-4-7-13-11-18-10-9-14(13)15/h1-11,16H,17H2
InChIKeyGVDCLYNSMOSYFN-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
1-isoquinolin-5-yl-2-phenylpropan-1-ol
CID 63899974
(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
CID 115853191
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl(phenyl)methanamine?
The IUPAC name of isoquinolin-5-yl(phenyl)methanamine (CID 55118760) is isoquinolin-5-yl(phenyl)methanamine.
What is the SMILES notation for isoquinolin-5-yl(phenyl)methanamine?
The canonical SMILES for isoquinolin-5-yl(phenyl)methanamine is NC(c1ccccc1)c1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-yl(phenyl)methanamine?
The InChIKey is GVDCLYNSMOSYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-16(12-5-2-1-3-6-12)15-8-4-7-13-11-18-10-9-14(13)15/h1-11,16H,17H2.
What are the key properties of isoquinolin-5-yl(phenyl)methanamine?
isoquinolin-5-yl(phenyl)methanamine has a molecular weight of 234.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl(phenyl)methanamine is sourced from PubChem (CID 55118760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).