1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

C17H15ClN2 — CID 103136785

IUPAC1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1cccc2ccncc12
InChIInChI=1S/C17H15ClN2/c1-19-17(14-6-2-3-8-16(14)18)13-7-4-5-12-9-10-20-11-15(12)13/h2-11,17,19H,1H3
InChIKeyBPOLUFJDXFPLNB-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.20
Rot. Bonds3

About 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103136785) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103136785
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1cccc2ccncc12
InChIInChI=1S/C17H15ClN2/c1-19-17(14-6-2-3-8-16(14)18)13-7-4-5-12-9-10-20-11-15(12)13/h2-11,17,19H,1H3
InChIKeyBPOLUFJDXFPLNB-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-(3-chloro-2-pyridinyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 103444331
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 103143559
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine
CID 145243101

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103136785) is 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1ccccc1Cl)c1cccc2ccncc12.
What is the InChIKey of 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is BPOLUFJDXFPLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-19-17(14-6-2-3-8-16(14)18)13-7-4-5-12-9-10-20-11-15(12)13/h2-11,17,19H,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 282.77 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103136785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).