N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline

C14H12BrF2NO — CID 43229828

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
SMILESCOc1ccc(CNc2c(F)cccc2F)cc1Br
InChIInChI=1S/C14H12BrF2NO/c1-19-13-6-5-9(7-10(13)15)8-18-14-11(16)3-2-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeyCHZAANUKJPJBEG-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.35
Rot. Bonds4

About N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline

N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline (PubChem CID 43229828) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
PubChem CID43229828
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
SMILESCOc1ccc(CNc2c(F)cccc2F)cc1Br
InChIInChI=1S/C14H12BrF2NO/c1-19-13-6-5-9(7-10(13)15)8-18-14-11(16)3-2-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeyCHZAANUKJPJBEG-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
CID 107598423
1-N-[(3-bromo-4-methoxyphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115127077
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloro-2-fluoroaniline
CID 43231721
4-[(2,6-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106787022
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
N-[(3-bromo-4-methoxyphenyl)methyl]-3-iodoaniline
CID 43229966
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 43773097
N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768476
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline (CID 43229828) is N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline is COc1ccc(CNc2c(F)cccc2F)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline?
The InChIKey is CHZAANUKJPJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-19-13-6-5-9(7-10(13)15)8-18-14-11(16)3-2-4-12(14)17/h2-7,18H,8H2,1H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline?
N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline has a molecular weight of 328.16 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 43229828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).