2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine

C11H12Br2FN — CID 115717189

IUPAC2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C11H12Br2FN/c1-7(12)6-15-8(2)10-4-3-9(14)5-11(10)13/h3-5,8,15H,1,6H2,2H3
InChIKeyKUCXNHQZNNZTTI-UHFFFAOYSA-N
MW337.03 g/mol
LogP4.15
Rot. Bonds4

About 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine

2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 115717189) has the molecular formula C11H12Br2FN and a molecular weight of 337.03 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
PubChem CID115717189
Molecular FormulaC11H12Br2FN
Molecular Weight337.03 g/mol
Exact Mass334.93
IUPAC Name2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C11H12Br2FN/c1-7(12)6-15-8(2)10-4-3-9(14)5-11(10)13/h3-5,8,15H,1,6H2,2H3
InChIKeyKUCXNHQZNNZTTI-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.03
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide
CID 103776829
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81348608
tert-butyl 2-[1-(2-bromo-4-fluorophenyl)ethylamino]acetate
CID 103917117
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784
1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine
CID 103783157
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 113261530
N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
CID 115717252
4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
CID 103779130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine (CID 115717189) is 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine is C=C(Br)CNC(C)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is KUCXNHQZNNZTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2FN/c1-7(12)6-15-8(2)10-4-3-9(14)5-11(10)13/h3-5,8,15H,1,6H2,2H3.
What are the key properties of 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine?
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 337.03 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 115717189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).