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

C10H11BrFN — CID 105005541

IUPAC1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFN/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-5,10H,1,13H2,2H3
InChIKeyWRWCZBKCZFUGFB-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.16
Rot. Bonds2

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

1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine (PubChem CID 105005541) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
PubChem CID105005541
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFN/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-5,10H,1,13H2,2H3
InChIKeyWRWCZBKCZFUGFB-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-1-amine
CID 105004259
1-(2-bromo-4-fluorophenyl)-3-methylbut-2-en-1-amine
CID 105004892
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79180085
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130985582
(1S)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130939820
methyl (2R)-2-(2-bromo-4-fluorophenyl)-3-oxobutanoate
CID 125474738

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine (CID 105005541) is 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is WRWCZBKCZFUGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-5,10H,1,13H2,2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine?
1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 244.11 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).