2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline

C10H11BrFN — CID 153394765

IUPAC2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(F)cc(Br)c1NC
InChIInChI=1S/C10H11BrFN/c1-6(2)8-4-7(12)5-9(11)10(8)13-3/h4-5,13H,1H2,2-3H3
InChIKeySEGRVWSVXJQNBS-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.66
Rot. Bonds2

About 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline

2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline (PubChem CID 153394765) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline
PubChem CID153394765
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(F)cc(Br)c1NC
InChIInChI=1S/C10H11BrFN/c1-6(2)8-4-7(12)5-9(11)10(8)13-3/h4-5,13H,1H2,2-3H3
InChIKeySEGRVWSVXJQNBS-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline (CID 153394765) is 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline is C=C(C)c1cc(F)cc(Br)c1NC.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline?
The InChIKey is SEGRVWSVXJQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-6(2)8-4-7(12)5-9(11)10(8)13-3/h4-5,13H,1H2,2-3H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline?
2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline has a molecular weight of 244.11 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline is sourced from PubChem (CID 153394765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).