2-(isoquinolin-5-ylmethylamino)-1-phenylethanol

C18H18N2O — CID 62823894

IUPAC2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
SMILESOC(CNCc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(14-5-2-1-3-6-14)13-20-12-16-8-4-7-15-11-19-10-9-17(15)16/h1-11,18,20-21H,12-13H2
InChIKeyZYHGZLRYUGBEIQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.06
Rot. Bonds5

About 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol

2-(isoquinolin-5-ylmethylamino)-1-phenylethanol (PubChem CID 62823894) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
PubChem CID62823894
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
SMILESOC(CNCc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(14-5-2-1-3-6-14)13-20-12-16-8-4-7-15-11-19-10-9-17(15)16/h1-11,18,20-21H,12-13H2
InChIKeyZYHGZLRYUGBEIQ-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
CID 106171853
1-(isoquinolin-5-ylmethylamino)pentan-2-ol
CID 113381728
1-phenyl-2-(quinolin-8-ylmethylamino)ethanol
CID 43394632
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033

Frequently Asked Questions

What is the IUPAC name of 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol?
The IUPAC name of 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol (CID 62823894) is 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol.
What is the SMILES notation for 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol?
The canonical SMILES for 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol is OC(CNCc1cccc2cnccc12)c1ccccc1.
What is the InChIKey of 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol?
The InChIKey is ZYHGZLRYUGBEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(14-5-2-1-3-6-14)13-20-12-16-8-4-7-15-11-19-10-9-17(15)16/h1-11,18,20-21H,12-13H2.
What are the key properties of 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol?
2-(isoquinolin-5-ylmethylamino)-1-phenylethanol has a molecular weight of 278.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isoquinolin-5-ylmethylamino)-1-phenylethanol is sourced from PubChem (CID 62823894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).