2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C16H23BrFNO — CID 105015421

IUPAC2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H23BrFNO/c1-9-10(2)20-11(3)16(9)15(19-4)7-12-5-13(17)8-14(18)6-12/h5-6,8-11,15-16,19H,7H2,1-4H3
InChIKeyYKBBSMUHBXGECH-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.78
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 105015421) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID105015421
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H23BrFNO/c1-9-10(2)20-11(3)16(9)15(19-4)7-12-5-13(17)8-14(18)6-12/h5-6,8-11,15-16,19H,7H2,1-4H3
InChIKeyYKBBSMUHBXGECH-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115822702
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155889
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105036896
[2-(4-bromo-2-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105297482
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 105015421) is 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CNC(Cc1cc(F)cc(Br)c1)C1C(C)OC(C)C1C.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is YKBBSMUHBXGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-9-10(2)20-11(3)16(9)15(19-4)7-12-5-13(17)8-14(18)6-12/h5-6,8-11,15-16,19H,7H2,1-4H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 344.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105015421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).