2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol

C12H15N3O — CID 82570326

IUPAC2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol
SMILESCc1cc(N)c2ccnc(NCCO)c2c1
InChIInChI=1S/C12H15N3O/c1-8-6-10-9(11(13)7-8)2-3-14-12(10)15-4-5-16/h2-3,6-7,16H,4-5,13H2,1H3,(H,14,15)
InChIKeyWGPGUEWJXWWDGX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.53
Rot. Bonds3

About 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol

2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol (PubChem CID 82570326) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol
PubChem CID82570326
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol
SMILESCc1cc(N)c2ccnc(NCCO)c2c1
InChIInChI=1S/C12H15N3O/c1-8-6-10-9(11(13)7-8)2-3-14-12(10)15-4-5-16/h2-3,6-7,16H,4-5,13H2,1H3,(H,14,15)
InChIKeyWGPGUEWJXWWDGX-UHFFFAOYSA-N
XLogP1.53
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-aminopropyl)-7-methylisoquinoline-1,5-diamine
CID 82570383
4-[(5-amino-7-methylisoquinolin-1-yl)amino]butanoic acid
CID 82570362
2-[(5-amino-7-methylisoquinolin-1-yl)amino]butan-1-ol
CID 82570347
N-[2-[(5-amino-7-fluoroisoquinolin-1-yl)amino]ethyl]acetamide
CID 82570423
2-[(8-amino-5-fluoroisoquinolin-1-yl)amino]ethanol
CID 82569992
methyl 2-[(5-amino-7-chloroisoquinolin-1-yl)amino]acetate
CID 82570466
2-[(5-amino-4-methylisoquinolin-1-yl)amino]ethanol
CID 82570805
5-amino-N,7-dimethylisoquinoline-1-carboxamide
CID 82571826
5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide
CID 82571829
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231
1-(2-hydroxyethylamino)isoquinoline-5-carboxylic acid
CID 82571100
7-bromo-1-N-methylisoquinoline-1,5-diamine
CID 82570476

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol?
The IUPAC name of 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol (CID 82570326) is 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol is Cc1cc(N)c2ccnc(NCCO)c2c1.
What is the InChIKey of 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol?
The InChIKey is WGPGUEWJXWWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-6-10-9(11(13)7-8)2-3-14-12(10)15-4-5-16/h2-3,6-7,16H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol?
2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol is sourced from PubChem (CID 82570326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).