4-bromo-N-[1-(3-fluorophenyl)propyl]aniline

C15H15BrFN — CID 114871024

IUPAC4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFN/c1-2-15(11-4-3-5-13(17)10-11)18-14-8-6-12(16)7-9-14/h3-10,15,18H,2H2,1H3
InChIKeyOUIGDHXIUSTZQN-UHFFFAOYSA-N
MW308.19 g/mol
LogP5.15
Rot. Bonds4

About 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline

4-bromo-N-[1-(3-fluorophenyl)propyl]aniline (PubChem CID 114871024) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
PubChem CID114871024
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFN/c1-2-15(11-4-3-5-13(17)10-11)18-14-8-6-12(16)7-9-14/h3-10,15,18H,2H2,1H3
InChIKeyOUIGDHXIUSTZQN-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

4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
3-bromo-N-[1-(3-fluorophenyl)propyl]-4-nitroaniline
CID 114871770
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
4-bromo-2,3-dichloro-N-[1-(3-fluorophenyl)propyl]aniline
CID 107787553

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline?
The IUPAC name of 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline (CID 114871024) is 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline?
The canonical SMILES for 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline is CCC(Nc1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline?
The InChIKey is OUIGDHXIUSTZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-2-15(11-4-3-5-13(17)10-11)18-14-8-6-12(16)7-9-14/h3-10,15,18H,2H2,1H3.
What are the key properties of 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline?
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline 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 4-bromo-N-[1-(3-fluorophenyl)propyl]aniline is sourced from PubChem (CID 114871024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).