2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol

C14H19N3O — CID 102713127

IUPAC2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C14H19N3O/c1-3-17(6-7-18)14-5-4-13(15)12-9-16-10(2)8-11(12)14/h4-5,8-9,18H,3,6-7,15H2,1-2H3
InChIKeyXLAXMKMZKLWLBF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds4

About 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol

2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol (PubChem CID 102713127) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol
PubChem CID102713127
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C14H19N3O/c1-3-17(6-7-18)14-5-4-13(15)12-9-16-10(2)8-11(12)14/h4-5,8-9,18H,3,6-7,15H2,1-2H3
InChIKeyXLAXMKMZKLWLBF-UHFFFAOYSA-N
XLogP1.94
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(8-amino-3-methylisoquinolin-5-yl)-methylamino]ethanol
CID 102713026
5-N-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)isoquinoline-5,8-diamine
CID 102713250
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N,N-dimethylacetamide
CID 102713102
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide
CID 102713092
2-[(8-amino-3-methylisoquinolin-5-yl)-butylamino]acetamide
CID 102713247
5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine
CID 102712896
2-(2-amino-N-ethyl-5-methylanilino)ethanol
CID 57376084
5-N,3-dimethyl-5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 102713155
5-N-benzyl-5-N,3-dimethylisoquinoline-5,8-diamine
CID 102712904
5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
CID 103486457
2-[(8-amino-3-methylisoquinolin-5-yl)amino]-2-methylbutan-1-ol
CID 102713445
2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid
CID 73012438

Frequently Asked Questions

What is the IUPAC name of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol (CID 102713127) is 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol is CCN(CCO)c1ccc(N)c2cnc(C)cc12.
What is the InChIKey of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol?
The InChIKey is XLAXMKMZKLWLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17(6-7-18)14-5-4-13(15)12-9-16-10(2)8-11(12)14/h4-5,8-9,18H,3,6-7,15H2,1-2H3.
What are the key properties of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol?
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol is sourced from PubChem (CID 102713127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).