2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol

C15H19BrN2O — CID 106541425

IUPAC2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol
SMILESCCCCN(CCO)c1nccc2c(Br)cccc12
InChIInChI=1S/C15H19BrN2O/c1-2-3-9-18(10-11-19)15-13-5-4-6-14(16)12(13)7-8-17-15/h4-8,19H,2-3,9-11H2,1H3
InChIKeyKWEQVGLHNNMPTQ-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.60
Rot. Bonds6

About 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol

2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol (PubChem CID 106541425) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol
PubChem CID106541425
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol
SMILESCCCCN(CCO)c1nccc2c(Br)cccc12
InChIInChI=1S/C15H19BrN2O/c1-2-3-9-18(10-11-19)15-13-5-4-6-14(16)12(13)7-8-17-15/h4-8,19H,2-3,9-11H2,1H3
InChIKeyKWEQVGLHNNMPTQ-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[4-(hydroxymethyl)isoquinolin-1-yl]amino]ethanol
CID 106768099
2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
CID 106541421
2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
CID 106541407
2-[butyl(quinazolin-4-yl)amino]ethanol
CID 61448133
methyl 3-[(5-bromoisoquinolin-1-yl)-ethylamino]propanoate
CID 106541921
N-butyl-N-(2-chloroethyl)-5-methoxyisoquinolin-1-amine
CID 106542513
5-bromo-N-(2-bromoethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106542837
2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
2-[butyl-(3-propoxy-2-pyridinyl)amino]ethanol
CID 113371170
N'-(5-bromoisoquinolin-1-yl)-N'-propan-2-ylethane-1,2-diamine
CID 106542301
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 61446274
3-[(5-bromoisoquinolin-1-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 106537048

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol?
The IUPAC name of 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol (CID 106541425) is 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol.
What is the SMILES notation for 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol?
The canonical SMILES for 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol is CCCCN(CCO)c1nccc2c(Br)cccc12.
What is the InChIKey of 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol?
The InChIKey is KWEQVGLHNNMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-3-9-18(10-11-19)15-13-5-4-6-14(16)12(13)7-8-17-15/h4-8,19H,2-3,9-11H2,1H3.
What are the key properties of 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol?
2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol has a molecular weight of 323.23 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol is sourced from PubChem (CID 106541425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).