1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine

C11H12BrF2N — CID 105000917

IUPAC1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H12BrF2N/c1-3-10(15-4-2)11-8(13)5-7(12)6-9(11)14/h3,5-6,10,15H,1,4H2,2H3
InChIKeyAWBJDUVUHLJUMQ-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine

1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine (PubChem CID 105000917) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
PubChem CID105000917
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H12BrF2N/c1-3-10(15-4-2)11-8(13)5-7(12)6-9(11)14/h3,5-6,10,15H,1,4H2,2H3
InChIKeyAWBJDUVUHLJUMQ-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.56
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

N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 105000738
1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 114894862
1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine
CID 107946193
1-(4-bromo-3,5-dimethylphenyl)-N-ethylprop-2-en-1-amine
CID 114330650
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013295
(1S)-1-(4-bromo-2,6-difluorophenyl)prop-2-en-1-amine
CID 130898055
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850027
1-(2-chloro-3-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000748
N-[(4-bromo-2,6-difluorophenyl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533892
1-(4-bromo-2,6-difluorophenyl)-N,3-dimethylbut-2-en-1-amine
CID 105004849
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(4-bromo-2,6-difluorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991452

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine (CID 105000917) is 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine is C=CC(NCC)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine?
The InChIKey is AWBJDUVUHLJUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c1-3-10(15-4-2)11-8(13)5-7(12)6-9(11)14/h3,5-6,10,15H,1,4H2,2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine?
1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine has a molecular weight of 276.12 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 105000917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).