2-(4-chloroisoquinolin-5-yl)-N-methylethanamine

C12H13ClN2 — CID 163469903

IUPAC2-(4-chloroisoquinolin-5-yl)-N-methylethanamine
SMILESCNCCc1cccc2cncc(Cl)c12
InChIInChI=1S/C12H13ClN2/c1-14-6-5-9-3-2-4-10-7-15-8-11(13)12(9)10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyBVSHVKPPEVYASK-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine

2-(4-chloroisoquinolin-5-yl)-N-methylethanamine (PubChem CID 163469903) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloroisoquinolin-5-yl)-N-methylethanamine
PubChem CID163469903
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-(4-chloroisoquinolin-5-yl)-N-methylethanamine
SMILESCNCCc1cccc2cncc(Cl)c12
InChIInChI=1S/C12H13ClN2/c1-14-6-5-9-3-2-4-10-7-15-8-11(13)12(9)10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyBVSHVKPPEVYASK-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-methoxyisoquinoline
CID 119083808
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
5-chloro-4-methylisoquinoline
CID 142595280
2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
CID 115464549
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 82792954
(5-chloroisoquinolin-4-yl)boronic acid
CID 156697434
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
N-methyl-2-quinolin-5-ylethanamine
CID 76694367
N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine
CID 12666307

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine (CID 163469903) is 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine is CNCCc1cccc2cncc(Cl)c12.
What is the InChIKey of 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine?
The InChIKey is BVSHVKPPEVYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-14-6-5-9-3-2-4-10-7-15-8-11(13)12(9)10/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine?
2-(4-chloroisoquinolin-5-yl)-N-methylethanamine has a molecular weight of 220.70 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroisoquinolin-5-yl)-N-methylethanamine is sourced from PubChem (CID 163469903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).