2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine

C17H14ClFN2 — CID 82787833

IUPAC2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1cccc2ncccc12
InChIInChI=1S/C17H14ClFN2/c18-14-7-1-4-11(17(14)19)10-15(20)12-5-2-8-16-13(12)6-3-9-21-16/h1-9,15H,10,20H2
InChIKeyWYHWFEZLDMBXSU-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.27
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine

2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine (PubChem CID 82787833) 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-5-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
PubChem CID82787833
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1cccc2ncccc12
InChIInChI=1S/C17H14ClFN2/c18-14-7-1-4-11(17(14)19)10-15(20)12-5-2-8-16-13(12)6-3-9-21-16/h1-9,15H,10,20H2
InChIKeyWYHWFEZLDMBXSU-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

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Related Compounds

2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 102867085
2-(5-chlorothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105135125
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82802957
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806137

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine (CID 82787833) is 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine is NC(Cc1cccc(Cl)c1F)c1cccc2ncccc12.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine?
The InChIKey is WYHWFEZLDMBXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c18-14-7-1-4-11(17(14)19)10-15(20)12-5-2-8-16-13(12)6-3-9-21-16/h1-9,15H,10,20H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine?
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-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-5-ylethanamine is sourced from PubChem (CID 82787833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).