1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

C17H14F2N2 — CID 103136233

IUPAC1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1cccc2ccncc12
InChIInChI=1S/C17H14F2N2/c1-20-17(12-7-13(18)9-14(19)8-12)15-4-2-3-11-5-6-21-10-16(11)15/h2-10,17,20H,1H3
InChIKeyVSTLAKKEZQEMAP-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.82
Rot. Bonds3

About 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103136233) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103136233
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1cccc2ccncc12
InChIInChI=1S/C17H14F2N2/c1-20-17(12-7-13(18)9-14(19)8-12)15-4-2-3-11-5-6-21-10-16(11)15/h2-10,17,20H,1H3
InChIKeyVSTLAKKEZQEMAP-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
1-(3,5-difluorophenyl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 63948041
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 103143559
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103136233) is 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cc(F)cc(F)c1)c1cccc2ccncc12.
What is the InChIKey of 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is VSTLAKKEZQEMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c1-20-17(12-7-13(18)9-14(19)8-12)15-4-2-3-11-5-6-21-10-16(11)15/h2-10,17,20H,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 284.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103136233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).