N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine

C18H17FN2 — CID 63222518

IUPACN-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-2-20-18(14-7-10-15(19)11-8-14)17-12-9-13-5-3-4-6-16(13)21-17/h3-12,18,20H,2H2,1H3
InChIKeyXQBXKAXGKARRTA-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.07
Rot. Bonds4

About N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine

N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine (PubChem CID 63222518) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
PubChem CID63222518
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC NameN-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-2-20-18(14-7-10-15(19)11-8-14)17-12-9-13-5-3-4-6-16(13)21-17/h3-12,18,20H,2H2,1H3
InChIKeyXQBXKAXGKARRTA-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222767
N-[(4-methylphenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222559
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
CID 104738216
N-[furan-2-yl(quinolin-2-yl)methyl]ethanamine
CID 63950003
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
(2S)-2-(4-fluorophenyl)-2-methoxy-N-[(1R)-1-quinolin-2-ylethyl]ethanamine
CID 97102119
N-[(4-fluorophenyl)-isoquinolin-1-ylmethyl]ethanamine
CID 63948856
N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
CID 106652952
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-ethyl-2-quinolin-2-ylpentan-3-amine
CID 63560957
1-(2,5-difluorophenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222517

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine (CID 63222518) is N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine is CCNC(c1ccc(F)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine?
The InChIKey is XQBXKAXGKARRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-2-20-18(14-7-10-15(19)11-8-14)17-12-9-13-5-3-4-6-16(13)21-17/h3-12,18,20H,2H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine?
N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine has a molecular weight of 280.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine is sourced from PubChem (CID 63222518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).