2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol

C15H19BrN2O — CID 177334855

IUPAC2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol
SMILESCC(C)c1c(C(C)(C)O)nc(N)c2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2O/c1-8(2)12-11-7-9(16)5-6-10(11)14(17)18-13(12)15(3,4)19/h5-8,19H,1-4H3,(H2,17,18)
InChIKeyICQVBQBRVCVRJH-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.93
Rot. Bonds2

About 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol

2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol (PubChem CID 177334855) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol
PubChem CID177334855
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol
SMILESCC(C)c1c(C(C)(C)O)nc(N)c2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2O/c1-8(2)12-11-7-9(16)5-6-10(11)14(17)18-13(12)15(3,4)19/h5-8,19H,1-4H3,(H2,17,18)
InChIKeyICQVBQBRVCVRJH-UHFFFAOYSA-N
XLogP3.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol?
The IUPAC name of 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol (CID 177334855) is 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol?
The canonical SMILES for 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol is CC(C)c1c(C(C)(C)O)nc(N)c2ccc(Br)cc12.
What is the InChIKey of 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol?
The InChIKey is ICQVBQBRVCVRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-8(2)12-11-7-9(16)5-6-10(11)14(17)18-13(12)15(3,4)19/h5-8,19H,1-4H3,(H2,17,18).
What are the key properties of 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol?
2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol has a molecular weight of 323.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-6-bromo-4-propan-2-ylisoquinolin-3-yl)propan-2-ol is sourced from PubChem (CID 177334855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).