N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline

C16H16BrF2NO — CID 43765856

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)ccc2OC(F)F)c1
InChIInChI=1S/C16H16BrF2NO/c1-10-3-4-11(2)14(7-10)20-9-12-8-13(17)5-6-15(12)21-16(18)19/h3-8,16,20H,9H2,1-2H3
InChIKeyWNDXUURCQRFADT-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.28
Rot. Bonds5

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline (PubChem CID 43765856) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
PubChem CID43765856
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)ccc2OC(F)F)c1
InChIInChI=1S/C16H16BrF2NO/c1-10-3-4-11(2)14(7-10)20-9-12-8-13(17)5-6-15(12)21-16(18)19/h3-8,16,20H,9H2,1-2H3
InChIKeyWNDXUURCQRFADT-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-2-methylaniline
CID 43764858
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methylaniline
CID 107582286
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126140521
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-2,5-dimethylaniline
CID 60781442
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-chloro-2-methylaniline
CID 43758567
N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
CID 43242955
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylaniline
CID 43425414
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline
CID 43762816
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline (CID 43765856) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2cc(Br)ccc2OC(F)F)c1.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline?
The InChIKey is WNDXUURCQRFADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10-3-4-11(2)14(7-10)20-9-12-8-13(17)5-6-15(12)21-16(18)19/h3-8,16,20H,9H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline has a molecular weight of 356.21 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 43765856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).