N-[1-(4-bromophenyl)propyl]-4-fluoroaniline

C15H15BrFN — CID 43097882

IUPACN-[1-(4-bromophenyl)propyl]-4-fluoroaniline
SMILESCCC(Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFN/c1-2-15(11-3-5-12(16)6-4-11)18-14-9-7-13(17)8-10-14/h3-10,15,18H,2H2,1H3
InChIKeyBLTWMGPIEFYZEF-UHFFFAOYSA-N
MW308.19 g/mol
LogP5.15
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-4-fluoroaniline

N-[1-(4-bromophenyl)propyl]-4-fluoroaniline (PubChem CID 43097882) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-4-fluoroaniline
PubChem CID43097882
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[1-(4-bromophenyl)propyl]-4-fluoroaniline
SMILESCCC(Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFN/c1-2-15(11-3-5-12(16)6-4-11)18-14-9-7-13(17)8-10-14/h3-10,15,18H,2H2,1H3
InChIKeyBLTWMGPIEFYZEF-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.19
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
CID 114051614
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591949
4-[1-(4-bromophenyl)propylamino]benzoic acid
CID 43321634
1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
4-bromo-2-[1-(4-fluoroanilino)propyl]phenol
CID 43194665
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
CID 107571835
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-[1-(4-fluorophenyl)propyl]thiophen-3-amine
CID 66350122

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-4-fluoroaniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-4-fluoroaniline (CID 43097882) is N-[1-(4-bromophenyl)propyl]-4-fluoroaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-4-fluoroaniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-4-fluoroaniline is CCC(Nc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-4-fluoroaniline?
The InChIKey is BLTWMGPIEFYZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-2-15(11-3-5-12(16)6-4-11)18-14-9-7-13(17)8-10-14/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-4-fluoroaniline?
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline has a molecular weight of 308.19 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-4-fluoroaniline is sourced from PubChem (CID 43097882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).