N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline

C15H13BrClF2N — CID 83081335

IUPACN-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
SMILESCCC(Nc1c(F)cc(F)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H13BrClF2N/c1-2-14(9-4-3-5-10(16)6-9)20-15-12(17)7-11(18)8-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyHLRBPYHKBNBIGQ-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.94
Rot. Bonds4

About N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline

N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline (PubChem CID 83081335) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
PubChem CID83081335
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC NameN-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
SMILESCCC(Nc1c(F)cc(F)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H13BrClF2N/c1-2-14(9-4-3-5-10(16)6-9)20-15-12(17)7-11(18)8-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyHLRBPYHKBNBIGQ-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline 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

2-chloro-4,6-difluoro-N-(1-phenylpropyl)aniline
CID 83082045
2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline
CID 83074821
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 107610073
2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 83079259
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline (CID 83081335) is N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline is CCC(Nc1c(F)cc(F)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline?
The InChIKey is HLRBPYHKBNBIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-2-14(9-4-3-5-10(16)6-9)20-15-12(17)7-11(18)8-13(15)19/h3-8,14,20H,2H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline?
N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline has a molecular weight of 360.63 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline is sourced from PubChem (CID 83081335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).