5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline

C15H14BrF2NO — CID 107592012

IUPAC5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cccc(CNc2cc(Br)c(F)cc2C)c1F
InChIInChI=1S/C15H14BrF2NO/c1-9-6-12(17)11(16)7-13(9)19-8-10-4-3-5-14(20-2)15(10)18/h3-7,19H,8H2,1-2H3
InChIKeyLERHLPRUHNLEIL-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.66
Rot. Bonds4

About 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline

5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline (PubChem CID 107592012) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
PubChem CID107592012
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cccc(CNc2cc(Br)c(F)cc2C)c1F
InChIInChI=1S/C15H14BrF2NO/c1-9-6-12(17)11(16)7-13(9)19-8-10-4-3-5-14(20-2)15(10)18/h3-7,19H,8H2,1-2H3
InChIKeyLERHLPRUHNLEIL-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609950
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 107591882
2-[(5-bromo-2,4-difluoroanilino)methyl]-6-methoxyphenol
CID 102852747
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline (CID 107592012) is 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline is COc1cccc(CNc2cc(Br)c(F)cc2C)c1F.
What is the InChIKey of 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline?
The InChIKey is LERHLPRUHNLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-6-12(17)11(16)7-13(9)19-8-10-4-3-5-14(20-2)15(10)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline?
5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline has a molecular weight of 342.18 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 107592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).