2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine

C17H15ClN2O — CID 103137226

IUPAC2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine
SMILESNC(COc1ccc(Cl)cc1)c1cccc2ccncc12
InChIInChI=1S/C17H15ClN2O/c18-13-4-6-14(7-5-13)21-11-17(19)15-3-1-2-12-8-9-20-10-16(12)15/h1-10,17H,11,19H2
InChIKeyFAOBLWZBSPHGBL-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine

2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine (PubChem CID 103137226) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine
PubChem CID103137226
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine
SMILESNC(COc1ccc(Cl)cc1)c1cccc2ccncc12
InChIInChI=1S/C17H15ClN2O/c18-13-4-6-14(7-5-13)21-11-17(19)15-3-1-2-12-8-9-20-10-16(12)15/h1-10,17H,11,19H2
InChIKeyFAOBLWZBSPHGBL-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
CID 105172449
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
CID 103137033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine (CID 103137226) is 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine is NC(COc1ccc(Cl)cc1)c1cccc2ccncc12.
What is the InChIKey of 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine?
The InChIKey is FAOBLWZBSPHGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-13-4-6-14(7-5-13)21-11-17(19)15-3-1-2-12-8-9-20-10-16(12)15/h1-10,17H,11,19H2.
What are the key properties of 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine?
2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine has a molecular weight of 298.77 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine is sourced from PubChem (CID 103137226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).