1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

C17H14BrClN2 — CID 103137538

IUPAC1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1Cl)c1cccc2ccncc12
InChIInChI=1S/C17H14BrClN2/c1-20-17(13-6-3-7-15(18)16(13)19)12-5-2-4-11-8-9-21-10-14(11)12/h2-10,17,20H,1H3
InChIKeyKVWQEEYAPMTAFE-UHFFFAOYSA-N
MW361.67 g/mol
LogP4.96
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103137538) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103137538
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1Cl)c1cccc2ccncc12
InChIInChI=1S/C17H14BrClN2/c1-20-17(13-6-3-7-15(18)16(13)19)12-5-2-4-11-8-9-21-10-14(11)12/h2-10,17,20H,1H3
InChIKeyKVWQEEYAPMTAFE-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 54.96
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-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904
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
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 103143559
[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140603
1-(3-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302295

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103137538) is 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cccc(Br)c1Cl)c1cccc2ccncc12.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is KVWQEEYAPMTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c1-20-17(13-6-3-7-15(18)16(13)19)12-5-2-4-11-8-9-21-10-14(11)12/h2-10,17,20H,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 361.67 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103137538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).