5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline

C10H13BrFN — CID 90265069

IUPAC5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline
SMILESCc1c(F)cc(Br)cc1NC(C)C
InChIInChI=1S/C10H13BrFN/c1-6(2)13-10-5-8(11)4-9(12)7(10)3/h4-6,13H,1-3H3
InChIKeyWIVSZWICYAALIE-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.72
Rot. Bonds2

About 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline

5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline (PubChem CID 90265069) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline
PubChem CID90265069
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline
SMILESCc1c(F)cc(Br)cc1NC(C)C
InChIInChI=1S/C10H13BrFN/c1-6(2)13-10-5-8(11)4-9(12)7(10)3/h4-6,13H,1-3H3
InChIKeyWIVSZWICYAALIE-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline?
The IUPAC name of 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline (CID 90265069) is 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline?
The canonical SMILES for 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline is Cc1c(F)cc(Br)cc1NC(C)C.
What is the InChIKey of 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline?
The InChIKey is WIVSZWICYAALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-6(2)13-10-5-8(11)4-9(12)7(10)3/h4-6,13H,1-3H3.
What are the key properties of 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline?
5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline has a molecular weight of 246.12 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 90265069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).