[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine

C17H15ClN2O — CID 62322930

IUPAC[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine
SMILESCc1ccc(Cl)c(Oc2nc(CN)cc3ccccc23)c1
InChIInChI=1S/C17H15ClN2O/c1-11-6-7-15(18)16(8-11)21-17-14-5-3-2-4-12(14)9-13(10-19)20-17/h2-9H,10,19H2,1H3
InChIKeyUCJHJJPDYLQCGW-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.45
Rot. Bonds3

About [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine

[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine (PubChem CID 62322930) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine
PubChem CID62322930
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine
SMILESCc1ccc(Cl)c(Oc2nc(CN)cc3ccccc23)c1
InChIInChI=1S/C17H15ClN2O/c1-11-6-7-15(18)16(8-11)21-17-14-5-3-2-4-12(14)9-13(10-19)20-17/h2-9H,10,19H2,1H3
InChIKeyUCJHJJPDYLQCGW-UHFFFAOYSA-N
XLogP4.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromophenoxy)isoquinolin-3-yl]methanamine
CID 62298264
[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 62298170
1-[1-(2-chlorophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62298180
(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
[1-(4-bromo-2-chlorophenoxy)isoquinolin-3-yl]methanol
CID 61255890
[1-[(4-chlorophenyl)methoxy]isoquinolin-3-yl]methanamine
CID 65125880
4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
CID 55229856
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031
[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377411
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
[1-(3,5-dimethylphenoxy)isoquinolin-3-yl]methanol
CID 61255876
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine?
The IUPAC name of [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine (CID 62322930) is [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine.
What is the SMILES notation for [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine?
The canonical SMILES for [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine is Cc1ccc(Cl)c(Oc2nc(CN)cc3ccccc23)c1.
What is the InChIKey of [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine?
The InChIKey is UCJHJJPDYLQCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-6-7-15(18)16(8-11)21-17-14-5-3-2-4-12(14)9-13(10-19)20-17/h2-9H,10,19H2,1H3.
What are the key properties of [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine?
[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine has a molecular weight of 298.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine is sourced from PubChem (CID 62322930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).