4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline

C15H15BrFNO — CID 54864255

IUPAC4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1cccc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-10-6-12(16)8-14(19-2)15(10)18-9-11-4-3-5-13(17)7-11/h3-8,18H,9H2,1-2H3
InChIKeyOFLXKBNAXARJKF-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.52
Rot. Bonds4

About 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline

4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline (PubChem CID 54864255) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
PubChem CID54864255
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1cccc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-10-6-12(16)8-14(19-2)15(10)18-9-11-4-3-5-13(17)7-11/h3-8,18H,9H2,1-2H3
InChIKeyOFLXKBNAXARJKF-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

4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline
CID 114452669
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586
4-bromo-N-(1H-indol-6-ylmethyl)-2-methoxy-6-methylaniline
CID 102910112
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]benzonitrile
CID 103745125
5-tert-butyl-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
CID 43229847
1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 47069290
N-(1-benzothiophen-3-ylmethyl)-4-bromo-2-methoxy-6-methylaniline
CID 63449809

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline (CID 54864255) is 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline is COc1cc(Br)cc(C)c1NCc1cccc(F)c1.
What is the InChIKey of 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
The InChIKey is OFLXKBNAXARJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-6-12(16)8-14(19-2)15(10)18-9-11-4-3-5-13(17)7-11/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline 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 4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline is sourced from PubChem (CID 54864255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).