2-amino-1-isoquinolin-8-yl-1-phenylethanol

C17H16N2O — CID 103143061

IUPAC2-amino-1-isoquinolin-8-yl-1-phenylethanol
SMILESNCC(O)(c1ccccc1)c1cccc2ccncc12
InChIInChI=1S/C17H16N2O/c18-12-17(20,14-6-2-1-3-7-14)16-8-4-5-13-9-10-19-11-15(13)16/h1-11,20H,12,18H2
InChIKeyJGMWYZAWCSJZBN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-1-isoquinolin-8-yl-1-phenylethanol

2-amino-1-isoquinolin-8-yl-1-phenylethanol (PubChem CID 103143061) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-1-isoquinolin-8-yl-1-phenylethanol.

Molecular Properties

Compound Name2-amino-1-isoquinolin-8-yl-1-phenylethanol
PubChem CID103143061
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-amino-1-isoquinolin-8-yl-1-phenylethanol
SMILESNCC(O)(c1ccccc1)c1cccc2ccncc12
InChIInChI=1S/C17H16N2O/c18-12-17(20,14-6-2-1-3-7-14)16-8-4-5-13-9-10-19-11-15(13)16/h1-11,20H,12,18H2
InChIKeyJGMWYZAWCSJZBN-UHFFFAOYSA-N
XLogP2.43
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707451
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
CID 103142671
1-(2-fluorophenyl)-1-isoquinolin-8-ylethanol
CID 103142678
2-isoquinolin-8-yl-1-methoxypropan-2-ol
CID 103142735
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine
CID 103143227
isoquinolin-8-ol
CID 135441711
3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
CID 116696421
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
2-isoquinolin-8-yl-1-methoxybutan-2-amine
CID 103143248
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-isoquinolin-8-yl-1-phenylethanol?
The IUPAC name of 2-amino-1-isoquinolin-8-yl-1-phenylethanol (CID 103143061) is 2-amino-1-isoquinolin-8-yl-1-phenylethanol.
What is the SMILES notation for 2-amino-1-isoquinolin-8-yl-1-phenylethanol?
The canonical SMILES for 2-amino-1-isoquinolin-8-yl-1-phenylethanol is NCC(O)(c1ccccc1)c1cccc2ccncc12.
What is the InChIKey of 2-amino-1-isoquinolin-8-yl-1-phenylethanol?
The InChIKey is JGMWYZAWCSJZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-12-17(20,14-6-2-1-3-7-14)16-8-4-5-13-9-10-19-11-15(13)16/h1-11,20H,12,18H2.
What are the key properties of 2-amino-1-isoquinolin-8-yl-1-phenylethanol?
2-amino-1-isoquinolin-8-yl-1-phenylethanol has a molecular weight of 264.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-isoquinolin-8-yl-1-phenylethanol is sourced from PubChem (CID 103143061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).