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

C17H15ClN2O — CID 105172449

IUPAC2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
SMILESNC(COc1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H15ClN2O/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16H,11,19H2
InChIKeyZAKSVOHCJAZLAH-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.97
Rot. Bonds4

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

2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine (PubChem CID 105172449) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
PubChem CID105172449
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
SMILESNC(COc1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H15ClN2O/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16H,11,19H2
InChIKeyZAKSVOHCJAZLAH-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-isoquinolin-8-ylethanamine
CID 103137226
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-1-quinolin-8-ylpent-4-yn-1-amine
CID 175716376
1-quinolin-8-ylbutan-1-amine
CID 79016206
2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229147
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
1-quinolin-8-ylhexan-1-amine
CID 105021327
8-(dichloromethyl)quinoline
CID 19989328
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine (CID 105172449) is 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine is NC(COc1ccc(Cl)cc1)c1cccc2cccnc12.
What is the InChIKey of 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine?
The InChIKey is ZAKSVOHCJAZLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16H,11,19H2.
What are the key properties of 2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine?
2-(4-chlorophenoxy)-1-quinolin-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-quinolin-8-ylethanamine is sourced from PubChem (CID 105172449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).