N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline

C15H14BrF2NO — CID 103585589

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
SMILESCOc1ccc(Br)c(CNc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-5-14(18)15(7-13(9)17)19-8-10-6-11(20-2)3-4-12(10)16/h3-7,19H,8H2,1-2H3
InChIKeyIENBJHXAQQKJTF-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.66
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline

N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline (PubChem CID 103585589) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
PubChem CID103585589
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
SMILESCOc1ccc(Br)c(CNc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-5-14(18)15(7-13(9)17)19-8-10-6-11(20-2)3-4-12(10)16/h3-7,19H,8H2,1-2H3
InChIKeyIENBJHXAQQKJTF-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

4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
N-[(2-bromo-5-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818482
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
3-[(2-bromo-5-methoxyphenyl)methylamino]-4-methylbenzonitrile
CID 65323502
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
N-[(2-bromo-5-methoxyphenyl)methyl]-2-tert-butylaniline
CID 65323655
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
4-bromo-2,5-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107609530

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline (CID 103585589) is N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline is COc1ccc(Br)c(CNc2cc(F)c(C)cc2F)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
The InChIKey is IENBJHXAQQKJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-5-14(18)15(7-13(9)17)19-8-10-6-11(20-2)3-4-12(10)16/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-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 N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).