2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline

C14H11BrClF2N — CID 104722778

IUPAC2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C14H11BrClF2N/c1-8-4-11(15)14(6-12(8)16)19-7-9-5-10(17)2-3-13(9)18/h2-6,19H,7H2,1H3
InChIKeySIBZPRASRNOHFZ-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.30
Rot. Bonds3

About 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline

2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline (PubChem CID 104722778) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
PubChem CID104722778
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C14H11BrClF2N/c1-8-4-11(15)14(6-12(8)16)19-7-9-5-10(17)2-3-13(9)18/h2-6,19H,7H2,1H3
InChIKeySIBZPRASRNOHFZ-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-4-methylaniline
CID 104722568
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726083
6-bromo-N-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43681752
5-[(2-bromo-5-chloro-4-methylanilino)methyl]-2-fluorobenzonitrile
CID 107880431
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104723407

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline?
The IUPAC name of 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline (CID 104722778) is 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline is Cc1cc(Br)c(NCc2cc(F)ccc2F)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline?
The InChIKey is SIBZPRASRNOHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-8-4-11(15)14(6-12(8)16)19-7-9-5-10(17)2-3-13(9)18/h2-6,19H,7H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline?
2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline has a molecular weight of 346.60 g/mol, XLogP of 5.30, 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-[(2,5-difluorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 104722778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).