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

C14H12Br2FNO — CID 107598423

IUPAC2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
SMILESCOc1ccc(CNc2c(F)cccc2Br)cc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-13-6-5-9(7-11(13)16)8-18-14-10(15)3-2-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeySEHBXDMVGJFKPO-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.97
Rot. Bonds4

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

2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline (PubChem CID 107598423) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
PubChem CID107598423
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
SMILESCOc1ccc(CNc2c(F)cccc2Br)cc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-13-6-5-9(7-11(13)16)8-18-14-10(15)3-2-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeySEHBXDMVGJFKPO-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
CID 43229828
1-N-[(3-bromo-4-methoxyphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115127077
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloro-2-fluoroaniline
CID 43231721
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-nitroaniline
CID 81305794
N-[(3-bromo-4-methoxyphenyl)methyl]-3-iodoaniline
CID 43229966
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
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-[(2,6-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106787022
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline (CID 107598423) is 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline is COc1ccc(CNc2c(F)cccc2Br)cc1Br.
What is the InChIKey of 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline?
The InChIKey is SEHBXDMVGJFKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-19-13-6-5-9(7-11(13)16)8-18-14-10(15)3-2-4-12(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline?
2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline has a molecular weight of 389.06 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline is sourced from PubChem (CID 107598423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).