2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline

C15H14BrClFN — CID 81271462

IUPAC2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cc(Cl)ccc2Br)cc1F
InChIInChI=1S/C15H14BrClFN/c1-9-3-4-11(7-14(9)18)10(2)19-15-8-12(17)5-6-13(15)16/h3-8,10,19H,1-2H3
InChIKeyVBDHCSWCPIEFAG-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.72
Rot. Bonds3

About 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline

2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline (PubChem CID 81271462) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
PubChem CID81271462
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cc(Cl)ccc2Br)cc1F
InChIInChI=1S/C15H14BrClFN/c1-9-3-4-11(7-14(9)18)10(2)19-15-8-12(17)5-6-13(15)16/h3-8,10,19H,1-2H3
InChIKeyVBDHCSWCPIEFAG-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 81268026
2-bromo-5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]aniline
CID 81269412
2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 81271218
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
3-bromo-4-[1-(3-fluoro-4-methylphenyl)ethylamino]benzoic acid
CID 82787749
2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475
2-bromo-N-[1-(4-butylphenyl)ethyl]-5-chloroaniline
CID 81269540

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline (CID 81271462) is 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2cc(Cl)ccc2Br)cc1F.
What is the InChIKey of 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
The InChIKey is VBDHCSWCPIEFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-3-4-11(7-14(9)18)10(2)19-15-8-12(17)5-6-13(15)16/h3-8,10,19H,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline has a molecular weight of 342.64 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 81271462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).