1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine

C9H11BrFNO — CID 112693311

IUPAC1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,9H,5,12H2,1H3
InChIKeyITZDUFNXWDNXTR-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.23
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine

1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine (PubChem CID 112693311) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
PubChem CID112693311
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,9H,5,12H2,1H3
InChIKeyITZDUFNXWDNXTR-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

2-(1-amino-2-methoxyethyl)-5-bromoaniline
CID 130043001
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
methyl (3S)-3-amino-3-(4-bromo-2-fluorophenyl)propanoate
CID 61150230
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
CID 171218948
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 61078831
1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 114906017
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(4-bromo-2-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 114905996
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine (CID 112693311) is 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine is COCC(N)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine?
The InChIKey is ITZDUFNXWDNXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,9H,5,12H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine?
1-(4-bromo-2-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 1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 112693311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).