2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine

C17H14ClFN2 — CID 82789990

IUPAC2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H14ClFN2/c18-14-5-1-3-13(17(14)19)10-15(20)11-6-7-16-12(9-11)4-2-8-21-16/h1-9,15H,10,20H2
InChIKeyPUYQLPBKWIZYRZ-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.27
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine

2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine (PubChem CID 82789990) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
PubChem CID82789990
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H14ClFN2/c18-14-5-1-3-13(17(14)19)10-15(20)11-6-7-16-12(9-11)4-2-8-21-16/h1-9,15H,10,20H2
InChIKeyPUYQLPBKWIZYRZ-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 82789499
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555
2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
CID 106867176
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(2,3-dichlorophenyl)-1-quinoxalin-6-ylethanamine
CID 107308633
2-(2,5-dimethylphenyl)-1-quinolin-6-ylethanamine
CID 63097558
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
CID 105172313
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine (CID 82789990) is 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine is NC(Cc1cccc(Cl)c1F)c1ccc2ncccc2c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine?
The InChIKey is PUYQLPBKWIZYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c18-14-5-1-3-13(17(14)19)10-15(20)11-6-7-16-12(9-11)4-2-8-21-16/h1-9,15H,10,20H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine?
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine has a molecular weight of 300.76 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine is sourced from PubChem (CID 82789990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).