1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

C17H14ClFN2 — CID 103137911

IUPAC1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1F)c1cccc2ccncc12
InChIInChI=1S/C17H14ClFN2/c1-20-17(14-9-12(18)5-6-16(14)19)13-4-2-3-11-7-8-21-10-15(11)13/h2-10,17,20H,1H3
InChIKeyMKYQJMXMXQKOLC-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.34
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103137911) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103137911
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1F)c1cccc2ccncc12
InChIInChI=1S/C17H14ClFN2/c1-20-17(14-9-12(18)5-6-16(14)19)13-4-2-3-11-7-8-21-10-15(11)13/h2-10,17,20H,1H3
InChIKeyMKYQJMXMXQKOLC-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
1-(5-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 114894681
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921
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-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103137911) is 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cc(Cl)ccc1F)c1cccc2ccncc12.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is MKYQJMXMXQKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-20-17(14-9-12(18)5-6-16(14)19)13-4-2-3-11-7-8-21-10-15(11)13/h2-10,17,20H,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 300.76 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103137911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).