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

C15H15BrFN — CID 105370653

IUPAC4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
SMILESCc1ccc(F)cc1CNc1ccc(Br)cc1C
InChIInChI=1S/C15H15BrFN/c1-10-3-5-14(17)8-12(10)9-18-15-6-4-13(16)7-11(15)2/h3-8,18H,9H2,1-2H3
InChIKeyOVUPZSFORDFUCF-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.82
Rot. Bonds3

About 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline

4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline (PubChem CID 105370653) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
PubChem CID105370653
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
SMILESCc1ccc(F)cc1CNc1ccc(Br)cc1C
InChIInChI=1S/C15H15BrFN/c1-10-3-5-14(17)8-12(10)9-18-15-6-4-13(16)7-11(15)2/h3-8,18H,9H2,1-2H3
InChIKeyOVUPZSFORDFUCF-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760980
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-2-methylaniline
CID 43764858
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
2-tert-butyl-N-[(5-fluoro-2-methylphenyl)methyl]aniline
CID 105371074
2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline
CID 103413131
4-bromo-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 55199010
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 1115738
4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554167
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline (CID 105370653) is 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline is Cc1ccc(F)cc1CNc1ccc(Br)cc1C.
What is the InChIKey of 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline?
The InChIKey is OVUPZSFORDFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-3-5-14(17)8-12(10)9-18-15-6-4-13(16)7-11(15)2/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline?
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline has a molecular weight of 308.19 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 105370653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).