2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol

C21H24N2O — CID 11404431

IUPAC2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol
SMILESCC(CO)c1c(-c2ccc(C(C)(C)N)cc2)ccc2cnccc12
InChIInChI=1S/C21H24N2O/c1-14(13-24)20-18(9-6-16-12-23-11-10-19(16)20)15-4-7-17(8-5-15)21(2,3)22/h4-12,14,24H,13,22H2,1-3H3
InChIKeyBXNHIQJRGPWFMY-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.19
Rot. Bonds4

About 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol

2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol (PubChem CID 11404431) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol
PubChem CID11404431
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol
SMILESCC(CO)c1c(-c2ccc(C(C)(C)N)cc2)ccc2cnccc12
InChIInChI=1S/C21H24N2O/c1-14(13-24)20-18(9-6-16-12-23-11-10-19(16)20)15-4-7-17(8-5-15)21(2,3)22/h4-12,14,24H,13,22H2,1-3H3
InChIKeyBXNHIQJRGPWFMY-UHFFFAOYSA-N
XLogP4.19
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propanoate
CID 11152674
2-[4-[5-[(E)-ethoxyiminomethyl]isoquinolin-6-yl]phenyl]propan-2-amine
CID 11209807
2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide
CID 50975662
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
3,8-phenanthroline
CID 13064691
ethane;1-[4-(5-pyrrol-1-ylisoquinolin-6-yl)phenyl]ethanamine
CID 143030931
1-(6-fluoroisoquinolin-5-yl)ethanamine
CID 82575682
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol?
The IUPAC name of 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol (CID 11404431) is 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol.
What is the SMILES notation for 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol?
The canonical SMILES for 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol is CC(CO)c1c(-c2ccc(C(C)(C)N)cc2)ccc2cnccc12.
What is the InChIKey of 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol?
The InChIKey is BXNHIQJRGPWFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14(13-24)20-18(9-6-16-12-23-11-10-19(16)20)15-4-7-17(8-5-15)21(2,3)22/h4-12,14,24H,13,22H2,1-3H3.
What are the key properties of 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol?
2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol has a molecular weight of 320.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propan-1-ol is sourced from PubChem (CID 11404431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).