[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine

C16H13ClN2O — CID 106777391

IUPAC[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
SMILESNCc1cnc(Oc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C16H13ClN2O/c17-14-7-3-4-8-15(14)20-16-13-6-2-1-5-12(13)11(9-18)10-19-16/h1-8,10H,9,18H2
InChIKeyCDIOIEDKCBPPFR-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.14
Rot. Bonds3

About [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine

[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine (PubChem CID 106777391) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
PubChem CID106777391
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
SMILESNCc1cnc(Oc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C16H13ClN2O/c17-14-7-3-4-8-15(14)20-16-13-6-2-1-5-12(13)11(9-18)10-19-16/h1-8,10H,9,18H2
InChIKeyCDIOIEDKCBPPFR-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-4-fluorophenoxy)isoquinolin-4-yl]methanamine
CID 106777368
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
4-(chloromethyl)-1-(2,3-dichlorophenoxy)isoquinoline
CID 106769460
1-(2-chloro-4-fluorophenoxy)-4-(chloromethyl)isoquinoline
CID 106769449
4-(chloromethyl)-1-(2-methoxyphenoxy)isoquinoline
CID 106769529
4-(chloromethyl)-1-(2,4-dichlorophenoxy)isoquinoline
CID 106769528
4-(chloromethyl)-1-(2,5-dichlorophenoxy)isoquinoline
CID 106769473
4-(chloromethyl)-1-(2-chloro-4-methylphenoxy)isoquinoline
CID 106769583
[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777326
4-(2-chlorophenoxy)quinazoline
CID 31538122
[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
CID 115041207
[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine
CID 106777567

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine?
The IUPAC name of [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine (CID 106777391) is [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine is NCc1cnc(Oc2ccccc2Cl)c2ccccc12.
What is the InChIKey of [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine?
The InChIKey is CDIOIEDKCBPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-7-3-4-8-15(14)20-16-13-6-2-1-5-12(13)11(9-18)10-19-16/h1-8,10H,9,18H2.
What are the key properties of [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine?
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine has a molecular weight of 284.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).