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

C14H12BrF2N — CID 28532250

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrF2N/c1-9-2-3-12(17)7-14(9)18-8-10-6-11(16)4-5-13(10)15/h2-7,18H,8H2,1H3
InChIKeyOQIIVLOZPDMJKT-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.65
Rot. Bonds3

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

N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline (PubChem CID 28532250) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
PubChem CID28532250
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrF2N/c1-9-2-3-12(17)7-14(9)18-8-10-6-11(16)4-5-13(10)15/h2-7,18H,8H2,1H3
InChIKeyOQIIVLOZPDMJKT-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.65
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
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
4-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 54902973
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952997

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline (CID 28532250) is N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline?
The InChIKey is OQIIVLOZPDMJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9-2-3-12(17)7-14(9)18-8-10-6-11(16)4-5-13(10)15/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline?
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline has a molecular weight of 312.16 g/mol, XLogP of 4.65, 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-fluorophenyl)methyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 28532250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).