N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline

C20H16Br2FNO — CID 126127942

IUPACN-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccccc1COc1c(Br)cc(Br)cc1CNc1ccccc1
InChIInChI=1S/C20H16Br2FNO/c21-16-10-15(12-24-17-7-2-1-3-8-17)20(18(22)11-16)25-13-14-6-4-5-9-19(14)23/h1-11,24H,12-13H2
InChIKeyXFDANVTVQPZOSS-UHFFFAOYSA-N
MW465.16 g/mol
LogP6.54
Rot. Bonds6

About N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline

N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126127942) has the molecular formula C20H16Br2FNO and a molecular weight of 465.16 g/mol. Its IUPAC name is N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126127942
Molecular FormulaC20H16Br2FNO
Molecular Weight465.16 g/mol
Exact Mass462.96
IUPAC NameN-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccccc1COc1c(Br)cc(Br)cc1CNc1ccccc1
InChIInChI=1S/C20H16Br2FNO/c21-16-10-15(12-24-17-7-2-1-3-8-17)20(18(22)11-16)25-13-14-6-4-5-9-19(14)23/h1-11,24H,12-13H2
InChIKeyXFDANVTVQPZOSS-UHFFFAOYSA-N
XLogP6.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.16
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126123365
N-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126123361
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43221034
4-bromo-N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126213328
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
N-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66541868
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 43757273
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
4-bromo-N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]aniline
CID 126211950
N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126125357
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline (CID 126127942) is N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline is Fc1ccccc1COc1c(Br)cc(Br)cc1CNc1ccccc1.
What is the InChIKey of N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is XFDANVTVQPZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2FNO/c21-16-10-15(12-24-17-7-2-1-3-8-17)20(18(22)11-16)25-13-14-6-4-5-9-19(14)23/h1-11,24H,12-13H2.
What are the key properties of N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
N-[[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 465.16 g/mol, XLogP of 6.54, 6 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-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126127942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).