4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline

C17H19BrFN — CID 43096586

IUPAC4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-4-13-5-7-14(8-6-13)12(2)20-17-10-9-15(18)11-16(17)19/h5-12,20H,3-4H2,1-2H3
InChIKeySKVXICHICNXFGO-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.71
Rot. Bonds5

About 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline

4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline (PubChem CID 43096586) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
PubChem CID43096586
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-4-13-5-7-14(8-6-13)12(2)20-17-10-9-15(18)11-16(17)19/h5-12,20H,3-4H2,1-2H3
InChIKeySKVXICHICNXFGO-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[1-(4-propylphenyl)ethylamino]benzonitrile
CID 82693493
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
4-bromo-2-fluoro-N-heptan-4-ylaniline
CID 28517550
[(4-bromo-2-fluorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105280828
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline
CID 43759736
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
4-bromo-2-fluoro-N-nonan-2-ylaniline
CID 63419505

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline (CID 43096586) is 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline is CCCc1ccc(C(C)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
The InChIKey is SKVXICHICNXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-4-13-5-7-14(8-6-13)12(2)20-17-10-9-15(18)11-16(17)19/h5-12,20H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline has a molecular weight of 336.25 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline is sourced from PubChem (CID 43096586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).