2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine

C17H15ClN2O — CID 105172313

IUPAC2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
SMILESNC(COc1cccc(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H15ClN2O/c18-14-4-1-5-15(10-14)21-11-16(19)12-6-7-17-13(9-12)3-2-8-20-17/h1-10,16H,11,19H2
InChIKeyHAVOMCPUZAXISM-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine

2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine (PubChem CID 105172313) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
PubChem CID105172313
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
SMILESNC(COc1cccc(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H15ClN2O/c18-14-4-1-5-15(10-14)21-11-16(19)12-6-7-17-13(9-12)3-2-8-20-17/h1-10,16H,11,19H2
InChIKeyHAVOMCPUZAXISM-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

3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105164447
[2-(3-chlorophenyl)-1-quinolin-6-ylethyl]hydrazine
CID 105195051
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
1-quinolin-6-ylbutan-1-amine
CID 63095616
1-quinolin-6-yloxypropan-2-amine
CID 86262441
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 105184741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine (CID 105172313) is 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine is NC(COc1cccc(Cl)c1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine?
The InChIKey is HAVOMCPUZAXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-4-1-5-15(10-14)21-11-16(19)12-6-7-17-13(9-12)3-2-8-20-17/h1-10,16H,11,19H2.
What are the key properties of 2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine?
2-(3-chlorophenoxy)-1-quinolin-6-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-(3-chlorophenoxy)-1-quinolin-6-ylethanamine is sourced from PubChem (CID 105172313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).