N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline

C14H12BrClFN — CID 43721439

IUPACN-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
SMILESCC(Nc1ccc(Cl)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFN/c1-9(10-2-4-11(15)5-3-10)18-12-6-7-13(16)14(17)8-12/h2-9,18H,1H3
InChIKeyKBRXTFBCRHUBAY-UHFFFAOYSA-N
MW328.61 g/mol
LogP5.41
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline

N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline (PubChem CID 43721439) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
PubChem CID43721439
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
SMILESCC(Nc1ccc(Cl)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFN/c1-9(10-2-4-11(15)5-3-10)18-12-6-7-13(16)14(17)8-12/h2-9,18H,1H3
InChIKeyKBRXTFBCRHUBAY-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
4-chloro-3-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43721459
3-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069843
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
4-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,5-dimethylaniline
CID 107571978
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
4-[1-(4-bromophenyl)ethylamino]-2-chlorobenzonitrile
CID 43348025
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
4-[1-(4-bromophenyl)ethylamino]-2-chlorobenzenecarbothioamide
CID 62948297

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline (CID 43721439) is N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline is CC(Nc1ccc(Cl)c(F)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline?
The InChIKey is KBRXTFBCRHUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9(10-2-4-11(15)5-3-10)18-12-6-7-13(16)14(17)8-12/h2-9,18H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline?
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline has a molecular weight of 328.61 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline is sourced from PubChem (CID 43721439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).