N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline

C16H17BrFNO — CID 43432267

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NCc2ccc(Br)cc2F)c1C
InChIInChI=1S/C16H17BrFNO/c1-10-4-7-15(11(2)16(10)20-3)19-9-12-5-6-13(17)8-14(12)18/h4-8,19H,9H2,1-3H3
InChIKeyZXGUHEOLLBHUJZ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.83
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline

N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline (PubChem CID 43432267) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
PubChem CID43432267
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NCc2ccc(Br)cc2F)c1C
InChIInChI=1S/C16H17BrFNO/c1-10-4-7-15(11(2)16(10)20-3)19-9-12-5-6-13(17)8-14(12)18/h4-8,19H,9H2,1-3H3
InChIKeyZXGUHEOLLBHUJZ-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
CID 43242955
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 66473407
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline (CID 43432267) is N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline is COc1c(C)ccc(NCc2ccc(Br)cc2F)c1C.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The InChIKey is ZXGUHEOLLBHUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-4-7-15(11(2)16(10)20-3)19-9-12-5-6-13(17)8-14(12)18/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline has a molecular weight of 338.22 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline is sourced from PubChem (CID 43432267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).