1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine

C15H22FN3 — CID 120856059

IUPAC1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCN(C2CC2)c2cc(F)ccc21
InChIInChI=1S/C15H22FN3/c1-15(2,17)10-18-7-8-19(12-4-5-12)14-9-11(16)3-6-13(14)18/h3,6,9,12H,4-5,7-8,10,17H2,1-2H3
InChIKeyJNKDVOGCPQMAMC-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.35
Rot. Bonds3

About 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine

1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine (PubChem CID 120856059) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine
PubChem CID120856059
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCN(C2CC2)c2cc(F)ccc21
InChIInChI=1S/C15H22FN3/c1-15(2,17)10-18-7-8-19(12-4-5-12)14-9-11(16)3-6-13(14)18/h3,6,9,12H,4-5,7-8,10,17H2,1-2H3
InChIKeyJNKDVOGCPQMAMC-UHFFFAOYSA-N
XLogP2.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine
CID 120847632
1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120858326
1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride
CID 120856024
4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole
CID 86800186
1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine
CID 82143186
methyl 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-1H-pyrrole-2-carboxylate
CID 86816779
1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877
2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine
CID 79171052
(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
CID 146090321
1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline
CID 127915447
1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-2-amine
CID 120848726
6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride
CID 119932660

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine (CID 120856059) is 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine is CC(C)(N)CN1CCN(C2CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine?
The InChIKey is JNKDVOGCPQMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-15(2,17)10-18-7-8-19(12-4-5-12)14-9-11(16)3-6-13(14)18/h3,6,9,12H,4-5,7-8,10,17H2,1-2H3.
What are the key properties of 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine?
1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine has a molecular weight of 263.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 120856059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).