3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine

C11H15BrFNO — CID 84810957

IUPAC3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)c(Br)c(C(C)CCN)c1
InChIInChI=1S/C11H15BrFNO/c1-7(3-4-14)9-5-8(15-2)6-10(13)11(9)12/h5-7H,3-4,14H2,1-2H3
InChIKeyZUUBCICDDVIRQY-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.05
Rot. Bonds4

About 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine

3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine (PubChem CID 84810957) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine
PubChem CID84810957
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)c(Br)c(C(C)CCN)c1
InChIInChI=1S/C11H15BrFNO/c1-7(3-4-14)9-5-8(15-2)6-10(13)11(9)12/h5-7H,3-4,14H2,1-2H3
InChIKeyZUUBCICDDVIRQY-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
CID 84795108
3-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491312
3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine?
The IUPAC name of 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine (CID 84810957) is 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine is COc1cc(F)c(Br)c(C(C)CCN)c1.
What is the InChIKey of 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine?
The InChIKey is ZUUBCICDDVIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(3-4-14)9-5-8(15-2)6-10(13)11(9)12/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine?
3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 84810957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).