2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine

C11H15BrFNO — CID 106644681

IUPAC2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine
SMILESCCC(N)(COC)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFNO/c1-3-11(14,7-15-2)8-5-4-6-9(12)10(8)13/h4-6H,3,7,14H2,1-2H3
InChIKeyRRIHXBKMKNGYOJ-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.80
Rot. Bonds4

About 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine

2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine (PubChem CID 106644681) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine
PubChem CID106644681
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine
SMILESCCC(N)(COC)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFNO/c1-3-11(14,7-15-2)8-5-4-6-9(12)10(8)13/h4-6H,3,7,14H2,1-2H3
InChIKeyRRIHXBKMKNGYOJ-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 117047799
2-isoquinolin-8-yl-1-methoxybutan-2-amine
CID 103143248
1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 106644665
2-(3-bromo-2-fluorophenyl)pentan-2-ol
CID 106644500
1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methylbutan-1-amine
CID 106646137
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656
1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethanamine;hydrochloride
CID 166147481
1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
CID 113453716

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine (CID 106644681) is 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine is CCC(N)(COC)c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine?
The InChIKey is RRIHXBKMKNGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-3-11(14,7-15-2)8-5-4-6-9(12)10(8)13/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine?
2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine has a molecular weight of 276.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 106644681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).