N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline

C15H14Br2FNO — CID 43764075

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
SMILESCOc1c(Br)cc(Br)cc1CNc1cc(F)ccc1C
InChIInChI=1S/C15H14Br2FNO/c1-9-3-4-12(18)7-14(9)19-8-10-5-11(16)6-13(17)15(10)20-2/h3-7,19H,8H2,1-2H3
InChIKeySXCPVKRRTUBXCA-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.28
Rot. Bonds4

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline (PubChem CID 43764075) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
PubChem CID43764075
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
SMILESCOc1c(Br)cc(Br)cc1CNc1cc(F)ccc1C
InChIInChI=1S/C15H14Br2FNO/c1-9-3-4-12(18)7-14(9)19-8-10-5-11(16)6-13(17)15(10)20-2/h3-7,19H,8H2,1-2H3
InChIKeySXCPVKRRTUBXCA-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764382
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127146
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 43763039
2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 107610436
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline (CID 43764075) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline is COc1c(Br)cc(Br)cc1CNc1cc(F)ccc1C.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline?
The InChIKey is SXCPVKRRTUBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-9-3-4-12(18)7-14(9)19-8-10-5-11(16)6-13(17)15(10)20-2/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline has a molecular weight of 403.09 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43764075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).