5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline

C16H18FN3 — CID 64769987

IUPAC5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
SMILESCN1CCN(Cc2ccc(F)cc2N)c2ccccc21
InChIInChI=1S/C16H18FN3/c1-19-8-9-20(16-5-3-2-4-15(16)19)11-12-6-7-13(17)10-14(12)18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyAJCKCKXPVWTBCJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.86
Rot. Bonds2

About 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline

5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline (PubChem CID 64769987) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
PubChem CID64769987
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
SMILESCN1CCN(Cc2ccc(F)cc2N)c2ccccc21
InChIInChI=1S/C16H18FN3/c1-19-8-9-20(16-5-3-2-4-15(16)19)11-12-6-7-13(17)10-14(12)18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyAJCKCKXPVWTBCJ-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 63778013
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyridin-3-amine
CID 104740104
2-fluoro-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 103912442
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
CID 64769584
1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
CID 63778948
3-methyl-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 114481209
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
CID 64768228
6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine
CID 80657017
1-[(2-amino-4-fluorophenyl)methyl]azepan-2-one
CID 64769011
2-chloro-6-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
CID 115958889

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline (CID 64769987) is 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline is CN1CCN(Cc2ccc(F)cc2N)c2ccccc21.
What is the InChIKey of 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline?
The InChIKey is AJCKCKXPVWTBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-19-8-9-20(16-5-3-2-4-15(16)19)11-12-6-7-13(17)10-14(12)18/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline?
5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline has a molecular weight of 271.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline is sourced from PubChem (CID 64769987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).