4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine

C11H15BrFN — CID 84729556

IUPAC4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
SMILESCC(F)(CN)CCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrFN/c1-11(13,8-14)7-6-9-2-4-10(12)5-3-9/h2-5H,6-8,14H2,1H3
InChIKeyWIOBHTUYVCULML-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.07
Rot. Bonds4

About 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine

4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine (PubChem CID 84729556) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
PubChem CID84729556
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
SMILESCC(F)(CN)CCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrFN/c1-11(13,8-14)7-6-9-2-4-10(12)5-3-9/h2-5H,6-8,14H2,1H3
InChIKeyWIOBHTUYVCULML-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine?
The IUPAC name of 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine (CID 84729556) is 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine.
What is the SMILES notation for 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine?
The canonical SMILES for 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine is CC(F)(CN)CCc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine?
The InChIKey is WIOBHTUYVCULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-11(13,8-14)7-6-9-2-4-10(12)5-3-9/h2-5H,6-8,14H2,1H3.
What are the key properties of 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine?
4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine is sourced from PubChem (CID 84729556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).