N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline

C15H14BrF2NO — CID 82818043

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCOc1ccc(Br)cc1CNc1c(F)ccc(C)c1F
InChIInChI=1S/C15H14BrF2NO/c1-9-3-5-12(17)15(14(9)18)19-8-10-7-11(16)4-6-13(10)20-2/h3-7,19H,8H2,1-2H3
InChIKeyIECFHRUKMTUIDQ-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.66
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline

N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline (PubChem CID 82818043) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
PubChem CID82818043
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCOc1ccc(Br)cc1CNc1c(F)ccc(C)c1F
InChIInChI=1S/C15H14BrF2NO/c1-9-3-5-12(17)15(14(9)18)19-8-10-7-11(16)4-6-13(10)20-2/h3-7,19H,8H2,1-2H3
InChIKeyIECFHRUKMTUIDQ-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-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
N-[(2-bromo-5-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818482
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(4-bromo-2-nitrophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114381464
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline (CID 82818043) is N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline is COc1ccc(Br)cc1CNc1c(F)ccc(C)c1F.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
The InChIKey is IECFHRUKMTUIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-3-5-12(17)15(14(9)18)19-8-10-7-11(16)4-6-13(10)20-2/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline?
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-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-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82818043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).