2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine

C18H17FN2 — CID 105087104

IUPAC2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-12-10-16(15-4-2-3-5-18(15)21-12)17(20)11-13-6-8-14(19)9-7-13/h2-10,17H,11,20H2,1H3
InChIKeyAAGUQCGIFOUDEO-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.92
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine

2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine (PubChem CID 105087104) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine
PubChem CID105087104
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-12-10-16(15-4-2-3-5-18(15)21-12)17(20)11-13-6-8-14(19)9-7-13/h2-10,17H,11,20H2,1H3
InChIKeyAAGUQCGIFOUDEO-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
2-(3-methylphenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105091263
2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087602
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
1-(2-methylquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105178009
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
(3-ethylphenyl)-(2-methylquinolin-4-yl)methanamine
CID 105171179

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine (CID 105087104) is 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine is Cc1cc(C(N)Cc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
The InChIKey is AAGUQCGIFOUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-10-16(15-4-2-3-5-18(15)21-12)17(20)11-13-6-8-14(19)9-7-13/h2-10,17H,11,20H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine has a molecular weight of 280.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine is sourced from PubChem (CID 105087104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).