N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline

C15H14BrClFN — CID 43150469

IUPACN-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
SMILESCCC(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClFN/c1-2-14(10-3-5-11(16)6-4-10)19-15-8-7-12(18)9-13(15)17/h3-9,14,19H,2H2,1H3
InChIKeyAQRMJIMYNQBLIF-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.80
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline

N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline (PubChem CID 43150469) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
PubChem CID43150469
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
SMILESCCC(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClFN/c1-2-14(10-3-5-11(16)6-4-10)19-15-8-7-12(18)9-13(15)17/h3-9,14,19H,2H2,1H3
InChIKeyAQRMJIMYNQBLIF-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 107610073
5-bromo-N-[1-(4-bromophenyl)propyl]-2,4-difluoroaniline
CID 102853099
N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
CID 43102521
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline (CID 43150469) is N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline is CCC(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline?
The InChIKey is AQRMJIMYNQBLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-2-14(10-3-5-11(16)6-4-10)19-15-8-7-12(18)9-13(15)17/h3-9,14,19H,2H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline?
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline has a molecular weight of 342.64 g/mol, XLogP of 5.80, 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]-2-chloro-4-fluoroaniline is sourced from PubChem (CID 43150469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).