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

C15H15BrFN — CID 134968806

IUPACN-[3-(4-bromo-3-fluorophenyl)propyl]aniline
SMILESFc1cc(CCCNc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrFN/c16-14-9-8-12(11-15(14)17)5-4-10-18-13-6-2-1-3-7-13/h1-3,6-9,11,18H,4-5,10H2
InChIKeyAPHYBUGWGXPCLO-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.63
Rot. Bonds5

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

N-[3-(4-bromo-3-fluorophenyl)propyl]aniline (PubChem CID 134968806) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[3-(4-bromo-3-fluorophenyl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(4-bromo-3-fluorophenyl)propyl]aniline
PubChem CID134968806
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[3-(4-bromo-3-fluorophenyl)propyl]aniline
SMILESFc1cc(CCCNc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrFN/c16-14-9-8-12(11-15(14)17)5-4-10-18-13-6-2-1-3-7-13/h1-3,6-9,11,18H,4-5,10H2
InChIKeyAPHYBUGWGXPCLO-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-bromo-3-fluorophenyl)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzylaniline
CID 66028
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877
Benzeneethanamine, N-phenyl-
CID 74443
N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
N-benzyl-4-fluoroaniline
CID 913402
N-benzyl-4-bromoaniline
CID 961575
N-(4-bromo-2-fluorophenyl)-N'-(2-phenylethyl)thiourea
CID 1250831
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
N-(2-fluorobenzyl)-4-methylaniline
CID 834598
N-Benzyl-3-bromoaniline
CID 9965096
Benzenepropanamine, N-phenyl-
CID 11735980
N-((2-fluorophenyl)methyl)aniline
CID 4711891

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-fluorophenyl)propyl]aniline?
The IUPAC name of N-[3-(4-bromo-3-fluorophenyl)propyl]aniline (CID 134968806) is N-[3-(4-bromo-3-fluorophenyl)propyl]aniline.
What is the SMILES notation for N-[3-(4-bromo-3-fluorophenyl)propyl]aniline?
The canonical SMILES for N-[3-(4-bromo-3-fluorophenyl)propyl]aniline is Fc1cc(CCCNc2ccccc2)ccc1Br.
What is the InChIKey of N-[3-(4-bromo-3-fluorophenyl)propyl]aniline?
The InChIKey is APHYBUGWGXPCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c16-14-9-8-12(11-15(14)17)5-4-10-18-13-6-2-1-3-7-13/h1-3,6-9,11,18H,4-5,10H2.
What are the key properties of N-[3-(4-bromo-3-fluorophenyl)propyl]aniline?
N-[3-(4-bromo-3-fluorophenyl)propyl]aniline has a molecular weight of 308.19 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-fluorophenyl)propyl]aniline is sourced from PubChem (CID 134968806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).