3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine

C12H15BrFN — CID 79347279

IUPAC3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=Cc1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFN/c1-9(2)15-7-3-4-10-5-6-12(14)11(13)8-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyQPTOLPCHFDGADW-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.60
Rot. Bonds4

About 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine

3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79347279) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID79347279
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=Cc1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFN/c1-9(2)15-7-3-4-10-5-6-12(14)11(13)8-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyQPTOLPCHFDGADW-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 106889701
3-(4-cyclopropylphenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79977685
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676
3-(3,4-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347465
3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474659
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
3-(4-nitrophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79346825
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79330405
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine (CID 79347279) is 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine is CC(C)NCC=Cc1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is QPTOLPCHFDGADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-9(2)15-7-3-4-10-5-6-12(14)11(13)8-10/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine?
3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.60, 4 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)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79347279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).