1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine

C17H16FN3 — CID 43770212

IUPAC1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCC(NCc1cnc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C17H16FN3/c1-12(13-5-4-6-14(18)9-13)19-10-15-11-20-16-7-2-3-8-17(16)21-15/h2-9,11-12,19H,10H2,1H3
InChIKeyVVWDVXPHEYMRDY-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine

1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine (PubChem CID 43770212) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
PubChem CID43770212
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCC(NCc1cnc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C17H16FN3/c1-12(13-5-4-6-14(18)9-13)19-10-15-11-20-16-7-2-3-8-17(16)21-15/h2-9,11-12,19H,10H2,1H3
InChIKeyVVWDVXPHEYMRDY-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 81353377
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222
(1R)-1-(furan-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81400826
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365728
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,3-diol
CID 43205914
1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 106388068
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine (CID 43770212) is 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine is CC(NCc1cnc2ccccc2n1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The InChIKey is VVWDVXPHEYMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12(13-5-4-6-14(18)9-13)19-10-15-11-20-16-7-2-3-8-17(16)21-15/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine has a molecular weight of 281.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine is sourced from PubChem (CID 43770212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).