2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine

C16H13ClFN3 — CID 103048688

IUPAC2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc2nccnc2c1
InChIInChI=1S/C16H13ClFN3/c17-12-2-3-13(18)11(7-12)8-14(19)10-1-4-15-16(9-10)21-6-5-20-15/h1-7,9,14H,8,19H2
InChIKeyXRZXAHTYZDFGHV-UHFFFAOYSA-N
MW301.75 g/mol
LogP3.66
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine

2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine (PubChem CID 103048688) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine
PubChem CID103048688
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc2nccnc2c1
InChIInChI=1S/C16H13ClFN3/c17-12-2-3-13(18)11(7-12)8-14(19)10-1-4-15-16(9-10)21-6-5-20-15/h1-7,9,14H,8,19H2
InChIKeyXRZXAHTYZDFGHV-UHFFFAOYSA-N
XLogP3.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-1-quinoxalin-6-ylethanamine
CID 107308633
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555
2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103048987
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629
(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
CID 55276938

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine (CID 103048688) is 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine is NC(Cc1cc(Cl)ccc1F)c1ccc2nccnc2c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine?
The InChIKey is XRZXAHTYZDFGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-12-2-3-13(18)11(7-12)8-14(19)10-1-4-15-16(9-10)21-6-5-20-15/h1-7,9,14H,8,19H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine?
2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine has a molecular weight of 301.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine is sourced from PubChem (CID 103048688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).