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

C16H17BrFN — CID 63448170

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c1-3-12-6-4-5-11(2)16(12)19-10-13-7-8-14(17)9-15(13)18/h4-9,19H,3,10H2,1-2H3
InChIKeyTWGMUNVGPBQUCY-UHFFFAOYSA-N
MW322.22 g/mol
LogP5.07
Rot. Bonds4

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

N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline (PubChem CID 63448170) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
PubChem CID63448170
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN/c1-3-12-6-4-5-11(2)16(12)19-10-13-7-8-14(17)9-15(13)18/h4-9,19H,3,10H2,1-2H3
InChIKeyTWGMUNVGPBQUCY-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64681971
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
N-[(4-bromo-2-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910576
N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
CID 43242955
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475131
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline (CID 63448170) is N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
The InChIKey is TWGMUNVGPBQUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-3-12-6-4-5-11(2)16(12)19-10-13-7-8-14(17)9-15(13)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline has a molecular weight of 322.22 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 63448170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).