2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline

C15H15BrFNO2 — CID 107633034

IUPAC2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
SMILESCOc1ccc(CNc2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(17)4-6-13(14)16/h3-8,18H,9H2,1-2H3
InChIKeyQDSFBEPWWGNESL-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.22
Rot. Bonds5

About 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline

2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline (PubChem CID 107633034) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
PubChem CID107633034
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
SMILESCOc1ccc(CNc2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(17)4-6-13(14)16/h3-8,18H,9H2,1-2H3
InChIKeyQDSFBEPWWGNESL-UHFFFAOYSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
4-bromo-2,3-dichloro-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 107787753
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline (CID 107633034) is 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline is COc1ccc(CNc2cc(F)ccc2Br)c(OC)c1.
What is the InChIKey of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline?
The InChIKey is QDSFBEPWWGNESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(17)4-6-13(14)16/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline?
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline has a molecular weight of 340.19 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107633034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).