2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine

C12H15BrFNO — CID 65330516

IUPAC2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)C1CCOC1
InChIInChI=1S/C12H15BrFNO/c13-11-2-1-10(14)5-9(11)6-12(15)8-3-4-16-7-8/h1-2,5,8,12H,3-4,6-7,15H2
InChIKeyFFUXJRGDQXUXHQ-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine

2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 65330516) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
PubChem CID65330516
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)C1CCOC1
InChIInChI=1S/C12H15BrFNO/c13-11-2-1-10(14)5-9(11)6-12(15)8-3-4-16-7-8/h1-2,5,8,12H,3-4,6-7,15H2
InChIKeyFFUXJRGDQXUXHQ-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-5-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105230037
2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 104794025
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65329971
[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170468
2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114241906
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine
CID 64505589
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
2-(2-bromo-5-fluorophenyl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 115843641
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine (CID 65330516) is 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine is NC(Cc1cc(F)ccc1Br)C1CCOC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is FFUXJRGDQXUXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-2-1-10(14)5-9(11)6-12(15)8-3-4-16-7-8/h1-2,5,8,12H,3-4,6-7,15H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 288.16 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 65330516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).