N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline

C14H12BrClFN — CID 66160456

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H12BrClFN/c1-9-2-5-13(17)14(6-9)18-8-10-7-11(16)3-4-12(10)15/h2-7,18H,8H2,1H3
InChIKeyYQPXRJZASBMGAX-UHFFFAOYSA-N
MW328.61 g/mol
LogP5.16
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline

N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline (PubChem CID 66160456) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
PubChem CID66160456
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H12BrClFN/c1-9-2-5-13(17)14(6-9)18-8-10-7-11(16)3-4-12(10)15/h2-7,18H,8H2,1H3
InChIKeyYQPXRJZASBMGAX-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102853232
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
2-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126354
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
N-[(2-bromo-5-chlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 66161147
2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
CID 61390509
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline (CID 66160456) is N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline is Cc1ccc(F)c(NCc2cc(Cl)ccc2Br)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is YQPXRJZASBMGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9-2-5-13(17)14(6-9)18-8-10-7-11(16)3-4-12(10)15/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline?
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline has a molecular weight of 328.61 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 66160456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).