3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline

C15H15BrFNO — CID 104775708

IUPAC3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1ccccc1CNc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-12-5-3-2-4-11(12)9-18-13-6-7-15(17)14(16)8-13/h2-8,18H,9-10H2,1H3
InChIKeyVIGMNROLOBEIJZ-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.35
Rot. Bonds5

About 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline

3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline (PubChem CID 104775708) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline
PubChem CID104775708
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1ccccc1CNc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-12-5-3-2-4-11(12)9-18-13-6-7-15(17)14(16)8-13/h2-8,18H,9-10H2,1H3
InChIKeyVIGMNROLOBEIJZ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 115909494
3-bromo-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 104776000
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672204
2-[2-[(3-bromo-4-fluoroanilino)methyl]phenoxy]acetonitrile
CID 104775999
3-bromo-N-[(2-fluorophenyl)methyl]-4-iodoaniline
CID 114262005
methyl 3-bromo-4-[(3-bromo-4-fluoroanilino)methyl]benzoate
CID 102766844
3-bromo-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-fluoroaniline
CID 104776031
2-[(3-bromo-4-fluoroanilino)methyl]-4-chloro-6-methoxyphenol
CID 104775725
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
The IUPAC name of 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline (CID 104775708) is 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline.
What is the SMILES notation for 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
The canonical SMILES for 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline is COCc1ccccc1CNc1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
The InChIKey is VIGMNROLOBEIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-19-10-12-5-3-2-4-11(12)9-18-13-6-7-15(17)14(16)8-13/h2-8,18H,9-10H2,1H3.
What are the key properties of 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline has a molecular weight of 324.19 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline is sourced from PubChem (CID 104775708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).