2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

C15H15BrFNO — CID 107597883

IUPAC2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1c(F)cccc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-6-7-14(19-2)11(8-10)9-18-15-12(16)4-3-5-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyMVRVZEQHISZLPT-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.52
Rot. Bonds4

About 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (PubChem CID 107597883) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
PubChem CID107597883
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1c(F)cccc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-6-7-14(19-2)11(8-10)9-18-15-12(16)4-3-5-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyMVRVZEQHISZLPT-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
CID 107598423
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoroaniline
CID 60687426
N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
CID 43229828
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
CID 107598496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (CID 107597883) is 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is COc1ccc(C)cc1CNc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The InChIKey is MVRVZEQHISZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-6-7-14(19-2)11(8-10)9-18-15-12(16)4-3-5-13(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline has a molecular weight of 324.19 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 107597883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).