1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

C18H21FN2 — CID 80648669

IUPAC1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESCC(NCc1cccc2c1NCCC2)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2/c1-13(14-7-9-17(19)10-8-14)21-12-16-5-2-4-15-6-3-11-20-18(15)16/h2,4-5,7-10,13,20-21H,3,6,11-12H2,1H3
InChIKeyPIBKFNZNHMAEFR-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (PubChem CID 80648669) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
PubChem CID80648669
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESCC(NCc1cccc2c1NCCC2)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2/c1-13(14-7-9-17(19)10-8-14)21-12-16-5-2-4-15-6-3-11-20-18(15)16/h2,4-5,7-10,13,20-21H,3,6,11-12H2,1H3
InChIKeyPIBKFNZNHMAEFR-UHFFFAOYSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 81352928
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80649541
(1R)-1-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81401362
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
CID 80649071
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81382251

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (CID 80648669) is 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is CC(NCc1cccc2c1NCCC2)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The InChIKey is PIBKFNZNHMAEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13(14-7-9-17(19)10-8-14)21-12-16-5-2-4-15-6-3-11-20-18(15)16/h2,4-5,7-10,13,20-21H,3,6,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine has a molecular weight of 284.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 80648669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).