2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline

C15H15BrFNO — CID 103826024

IUPAC2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1cccc(CNc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-12-4-2-3-11(7-12)9-18-15-8-13(17)5-6-14(15)16/h2-8,18H,9-10H2,1H3
InChIKeyGSAKJRMKAVGLGH-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.35
Rot. Bonds5

About 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline

2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline (PubChem CID 103826024) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
PubChem CID103826024
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1cccc(CNc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-12-4-2-3-11(7-12)9-18-15-8-13(17)5-6-14(15)16/h2-8,18H,9-10H2,1H3
InChIKeyGSAKJRMKAVGLGH-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

2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 81292705
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672204
2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107633456
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569
2-bromo-5-fluoro-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 107633333
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 61004386

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The IUPAC name of 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline (CID 103826024) is 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline is COCc1cccc(CNc2cc(F)ccc2Br)c1.
What is the InChIKey of 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The InChIKey is GSAKJRMKAVGLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-19-10-12-4-2-3-11(7-12)9-18-15-8-13(17)5-6-14(15)16/h2-8,18H,9-10H2,1H3.
What are the key properties of 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
2-bromo-5-fluoro-N-[[3-(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 2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline is sourced from PubChem (CID 103826024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).