4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline

C16H16BrF2NO — CID 81289888

IUPAC4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1ccccc1OC(F)F
InChIInChI=1S/C16H16BrF2NO/c1-2-11-9-13(17)7-8-14(11)20-10-12-5-3-4-6-15(12)21-16(18)19/h3-9,16,20H,2,10H2,1H3
InChIKeyWNSSIQVMBPGMML-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.22
Rot. Bonds6

About 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline

4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline (PubChem CID 81289888) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline.

Molecular Properties

Compound Name4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
PubChem CID81289888
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1ccccc1OC(F)F
InChIInChI=1S/C16H16BrF2NO/c1-2-11-9-13(17)7-8-14(11)20-10-12-5-3-4-6-15(12)21-16(18)19/h3-9,16,20H,2,10H2,1H3
InChIKeyWNSSIQVMBPGMML-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[[2-(difluoromethoxy)phenyl]methylamino]benzonitrile
CID 78994094
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-2-methylaniline
CID 43764858
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 43765856

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
The IUPAC name of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline (CID 81289888) is 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline.
What is the SMILES notation for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
The canonical SMILES for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline is CCc1cc(Br)ccc1NCc1ccccc1OC(F)F.
What is the InChIKey of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
The InChIKey is WNSSIQVMBPGMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-2-11-9-13(17)7-8-14(11)20-10-12-5-3-4-6-15(12)21-16(18)19/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline has a molecular weight of 356.21 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline is sourced from PubChem (CID 81289888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).