1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine

C10H11BrFN — CID 114886934

IUPAC1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1c(F)cccc1Br
InChIInChI=1S/C10H11BrFN/c1-3-9(13-2)10-7(11)5-4-6-8(10)12/h3-6,9,13H,1H2,2H3
InChIKeyKJMHRUNAMZSKNN-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine

1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 114886934) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine
PubChem CID114886934
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1c(F)cccc1Br
InChIInChI=1S/C10H11BrFN/c1-3-9(13-2)10-7(11)5-4-6-8(10)12/h3-6,9,13H,1H2,2H3
InChIKeyKJMHRUNAMZSKNN-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.03
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-6-fluorophenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 114559081
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine
CID 107538944
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 114559095
1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 114887024
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114558866
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
CID 114248992
1-(2-bromo-6-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 114886948
1-(2-bromo-6-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 114887116

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine (CID 114886934) is 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine is C=CC(NC)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is KJMHRUNAMZSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-3-9(13-2)10-7(11)5-4-6-8(10)12/h3-6,9,13H,1H2,2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine?
1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 244.11 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 114886934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).