3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine

C10H11BrFN — CID 79330405

IUPAC3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(Br)c1)CN
InChIInChI=1S/C10H11BrFN/c1-7(6-13)4-8-2-3-10(12)9(11)5-8/h2-5H,6,13H2,1H3
InChIKeyIHUIXBQKJKIFEE-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.95
Rot. Bonds2

About 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine

3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine (PubChem CID 79330405) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
PubChem CID79330405
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(Br)c1)CN
InChIInChI=1S/C10H11BrFN/c1-7(6-13)4-8-2-3-10(12)9(11)5-8/h2-5H,6,13H2,1H3
InChIKeyIHUIXBQKJKIFEE-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340
tert-butyl (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoate
CID 129491127
(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 119087183
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
2-[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 70289071
(3Z)-3-[(3-bromo-4-fluorophenyl)methylidene]-1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione
CID 70136608
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
CID 79330049
3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79347279
(2Z)-2-[(3-bromo-4-methylphenyl)methylidene]butan-1-amine
CID 105411779
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine (CID 79330405) is 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine is CC(=Cc1ccc(F)c(Br)c1)CN.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is IHUIXBQKJKIFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-7(6-13)4-8-2-3-10(12)9(11)5-8/h2-5H,6,13H2,1H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 244.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79330405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).