4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline

C15H14BrF2NO — CID 60943358

IUPAC4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-5-11(16)7-14(20-2)15(9)19-8-10-3-4-12(17)13(18)6-10/h3-7,19H,8H2,1-2H3
InChIKeyQGFYGFIVXCVQNA-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.66
Rot. Bonds4

About 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline

4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline (PubChem CID 60943358) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline
PubChem CID60943358
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-5-11(16)7-14(20-2)15(9)19-8-10-3-4-12(17)13(18)6-10/h3-7,19H,8H2,1-2H3
InChIKeyQGFYGFIVXCVQNA-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline (CID 60943358) is 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline is COc1cc(Br)cc(C)c1NCc1ccc(F)c(F)c1.
What is the InChIKey of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline?
The InChIKey is QGFYGFIVXCVQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-5-11(16)7-14(20-2)15(9)19-8-10-3-4-12(17)13(18)6-10/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline?
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-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 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-methoxy-6-methylaniline is sourced from PubChem (CID 60943358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).