1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine

C12H12F2N2 — CID 82577442

IUPAC1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine
SMILESCC(N)Cc1nccc2c(F)cc(F)cc12
InChIInChI=1S/C12H12F2N2/c1-7(15)4-12-10-5-8(13)6-11(14)9(10)2-3-16-12/h2-3,5-7H,4,15H2,1H3
InChIKeyZUGHLFFGNGEDKX-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.40
Rot. Bonds2

About 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine

1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine (PubChem CID 82577442) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine
PubChem CID82577442
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine
SMILESCC(N)Cc1nccc2c(F)cc(F)cc12
InChIInChI=1S/C12H12F2N2/c1-7(15)4-12-10-5-8(13)6-11(14)9(10)2-3-16-12/h2-3,5-7H,4,15H2,1H3
InChIKeyZUGHLFFGNGEDKX-UHFFFAOYSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluoro-1-methylisoquinoline;ethane
CID 177201481
(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
CID 124505252
1-(7-fluoroisoquinolin-5-yl)propan-2-amine
CID 82577419
1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
CID 82577565
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(7-fluoroisoquinolin-1-yl)ethanamine
CID 82575695
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
CID 91661517
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
CID 63196630

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine?
The IUPAC name of 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine (CID 82577442) is 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine is CC(N)Cc1nccc2c(F)cc(F)cc12.
What is the InChIKey of 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine?
The InChIKey is ZUGHLFFGNGEDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-7(15)4-12-10-5-8(13)6-11(14)9(10)2-3-16-12/h2-3,5-7H,4,15H2,1H3.
What are the key properties of 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine?
1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine has a molecular weight of 222.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoroisoquinolin-1-yl)propan-2-amine is sourced from PubChem (CID 82577442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).