1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine

C18H17FN2 — CID 103137533

IUPAC1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)c1cccc2ccncc12
InChIInChI=1S/C18H17FN2/c1-12-8-14(10-15(19)9-12)18(20-2)16-5-3-4-13-6-7-21-11-17(13)16/h3-11,18,20H,1-2H3
InChIKeyXLWIRIBFTDWXHM-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.99
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103137533) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103137533
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)c1cccc2ccncc12
InChIInChI=1S/C18H17FN2/c1-12-8-14(10-15(19)9-12)18(20-2)16-5-3-4-13-6-7-21-11-17(13)16/h3-11,18,20H,1-2H3
InChIKeyXLWIRIBFTDWXHM-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 103143559
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016630
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103137533) is 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cc(C)cc(F)c1)c1cccc2ccncc12.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is XLWIRIBFTDWXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-8-14(10-15(19)9-12)18(20-2)16-5-3-4-13-6-7-21-11-17(13)16/h3-11,18,20H,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 280.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103137533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).