2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine

C9H11BrFNO — CID 66070724

IUPAC2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H11BrFNO/c1-13-9(5-12)6-2-3-8(11)7(10)4-6/h2-4,9H,5,12H2,1H3
InChIKeyKOFRUMNTAQCXCY-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.23
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine

2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine (PubChem CID 66070724) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
PubChem CID66070724
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H11BrFNO/c1-13-9(5-12)6-2-3-8(11)7(10)4-6/h2-4,9H,5,12H2,1H3
InChIKeyKOFRUMNTAQCXCY-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

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 60893474
2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine
CID 66073215
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine
CID 131054078
1-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427687
4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
1-(3-bromo-4-fluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912496
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
1-(3-bromo-4-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269361
2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
CID 84686324
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine (CID 66070724) is 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine is COC(CN)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine?
The InChIKey is KOFRUMNTAQCXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-13-9(5-12)6-2-3-8(11)7(10)4-6/h2-4,9H,5,12H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine?
2-(3-bromo-4-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-4-fluorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 66070724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).