2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine

C9H11BrFNO — CID 131054078

IUPAC2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H11BrFNO/c1-13-9(5-12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3
InChIKeyTZCDLQDCJFPLCB-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.23
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine

2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine (PubChem CID 131054078) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine
PubChem CID131054078
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H11BrFNO/c1-13-9(5-12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3
InChIKeyTZCDLQDCJFPLCB-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine 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-methoxy-2-(3,4,5-trifluorophenyl)ethanamine
CID 66073215
2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
[1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate
CID 126518804
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
1-bromo-3-butan-2-yl-5-fluorobenzene
CID 130384481
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031167
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine (CID 131054078) is 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine is COC(CN)c1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine?
The InChIKey is TZCDLQDCJFPLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-13-9(5-12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine?
2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine has a molecular weight of 248.09 g/mol, XLogP of 2.23, 3 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)-2-methoxyethanamine is sourced from PubChem (CID 131054078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).