2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline

C14H12BrClFNO — CID 103478952

IUPAC2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cccc(Cl)c2Br)c(F)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-10-6-5-9(12(17)7-10)8-18-13-4-2-3-11(16)14(13)15/h2-7,18H,8H2,1H3
InChIKeyWZLNDLVEKJTCGQ-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.86
Rot. Bonds4

About 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline

2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline (PubChem CID 103478952) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
PubChem CID103478952
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cccc(Cl)c2Br)c(F)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-10-6-5-9(12(17)7-10)8-18-13-4-2-3-11(16)14(13)15/h2-7,18H,8H2,1H3
InChIKeyWZLNDLVEKJTCGQ-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107804560
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-chloroaniline
CID 103478325
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 18512135
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
CID 114318245

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline (CID 103478952) is 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2cccc(Cl)c2Br)c(F)c1.
What is the InChIKey of 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The InChIKey is WZLNDLVEKJTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-10-6-5-9(12(17)7-10)8-18-13-4-2-3-11(16)14(13)15/h2-7,18H,8H2,1H3.
What are the key properties of 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline has a molecular weight of 344.61 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 103478952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).