(2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine

C20H21FN2O — CID 97102119

IUPAC(2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine
SMILESCO[C@H](CN[C@H](C)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-14(18-12-9-15-5-3-4-6-19(15)23-18)22-13-20(24-2)16-7-10-17(21)11-8-16/h3-12,14,20,22H,13H2,1-2H3/t14-,20-/m1/s1
InChIKeyATZOCFLLZIBIFO-JLTOFOAXSA-N
MW324.40 g/mol
LogP4.41
Rot. Bonds6

About (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine

(2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine (PubChem CID 97102119) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine
PubChem CID97102119
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name(2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine
SMILESCO[C@H](CN[C@H](C)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-14(18-12-9-15-5-3-4-6-19(15)23-18)22-13-20(24-2)16-7-10-17(21)11-8-16/h3-12,14,20,22H,13H2,1-2H3/t14-,20-/m1/s1
InChIKeyATZOCFLLZIBIFO-JLTOFOAXSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine with MolForge

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Related Compounds

1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290
3-[(Benzyloxy)methyl]-5-fluoro-2-methylquinolin-4-amine
CID 11098484
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)-1H-indole
CID 9981761
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidin-1-yl)methyl)-1H-indole
CID 10994187
3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 9891637
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(propan-2-ylamino)ethanol
CID 46232358
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(butylamino)ethanol
CID 46232872
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(2-phenylethylamino)ethanol
CID 46233016
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(cyclohexylamino)ethanol
CID 49838067
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
CID 54578090
N-[6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 101577010
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-1H-indole
CID 10477510

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine (CID 97102119) is (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine is CO[C@H](CN[C@H](C)c1ccc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine?
The InChIKey is ATZOCFLLZIBIFO-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-14(18-12-9-15-5-3-4-6-19(15)23-18)22-13-20(24-2)16-7-10-17(21)11-8-16/h3-12,14,20,22H,13H2,1-2H3/t14-,20-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine?
(2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine has a molecular weight of 324.40 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine is sourced from PubChem (CID 97102119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).