2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine

C17H16FN3O — CID 70684827

IUPAC2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine
SMILESCNc1ccc2nc(-c3ccc(OCCF)cc3)cnc2c1
InChIInChI=1S/C17H16FN3O/c1-19-13-4-7-15-16(10-13)20-11-17(21-15)12-2-5-14(6-3-12)22-9-8-18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyOWZPFCUDLPYIPO-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine

2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine (PubChem CID 70684827) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine.

Molecular Properties

Compound Name2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine
PubChem CID70684827
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine
SMILESCNc1ccc2nc(-c3ccc(OCCF)cc3)cnc2c1
InChIInChI=1S/C17H16FN3O/c1-19-13-4-7-15-16(10-13)20-11-17(21-15)12-2-5-14(6-3-12)22-9-8-18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyOWZPFCUDLPYIPO-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-(2-fluoroethoxy)quinoxalin-2-yl)-N,N-dimethylaniline
CID 71764366
4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline
CID 71816462
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-
CID 453054
N-(4-(benzyloxy)phenethyl)pyridin-4-amine
CID 44292136
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464
{2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-ethyl}-quinolin-4-yl-amine; Oxalic acid
CID 11003651
2-(4-Butoxyphenyl)quinoxaline
CID 1739003
2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine
CID 70684828
4-(2-Quinoxalinyl)phenyl propionate
CID 768876
N-[(5-fluoro-2-methoxy-phenyl)methyl]-N'-[7-(4-methoxyphenoxy)-4-quinolyl]propane-1,3-diamine
CID 56593658
N'-[7-[3-(dimethylamino)phenoxy]-4-quinolyl]-N-[(5-fluoro-2-methoxy-phenyl)methyl]propane-1,3-diamine
CID 56595008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine?
The IUPAC name of 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine (CID 70684827) is 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine.
What is the SMILES notation for 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine?
The canonical SMILES for 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine is CNc1ccc2nc(-c3ccc(OCCF)cc3)cnc2c1.
What is the InChIKey of 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine?
The InChIKey is OWZPFCUDLPYIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-19-13-4-7-15-16(10-13)20-11-17(21-15)12-2-5-14(6-3-12)22-9-8-18/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine?
2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine has a molecular weight of 297.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethoxy)phenyl]-N-methylquinoxalin-6-amine is sourced from PubChem (CID 70684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).