1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine

C12H15BrFNO — CID 103394387

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
SMILESCOc1cc(F)c(Br)cc1C(N)CC1CC1
InChIInChI=1S/C12H15BrFNO/c1-16-12-6-10(14)9(13)5-8(12)11(15)4-7-2-3-7/h5-7,11H,2-4,15H2,1H3
InChIKeyAIAQEKYPHVFHDL-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.40
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine (PubChem CID 103394387) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
PubChem CID103394387
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
SMILESCOc1cc(F)c(Br)cc1C(N)CC1CC1
InChIInChI=1S/C12H15BrFNO/c1-16-12-6-10(14)9(13)5-8(12)11(15)4-7-2-3-7/h5-7,11H,2-4,15H2,1H3
InChIKeyAIAQEKYPHVFHDL-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
CID 103394333
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178298
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine (CID 103394387) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine is COc1cc(F)c(Br)cc1C(N)CC1CC1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine?
The InChIKey is AIAQEKYPHVFHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-12-6-10(14)9(13)5-8(12)11(15)4-7-2-3-7/h5-7,11H,2-4,15H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine has a molecular weight of 288.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 103394387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).