4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline

C20H16BrCl2NO — CID 23851103

IUPAC4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1cccc(Cl)c1COc1ccccc1CNc1ccc(Br)cc1
InChIInChI=1S/C20H16BrCl2NO/c21-15-8-10-16(11-9-15)24-12-14-4-1-2-7-20(14)25-13-17-18(22)5-3-6-19(17)23/h1-11,24H,12-13H2
InChIKeyHHIAZAMTHJTXAY-UHFFFAOYSA-N
MW437.16 g/mol
LogP6.95
Rot. Bonds6

About 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline

4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 23851103) has the molecular formula C20H16BrCl2NO and a molecular weight of 437.16 g/mol. Its IUPAC name is 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID23851103
Molecular FormulaC20H16BrCl2NO
Molecular Weight437.16 g/mol
Exact Mass434.98
IUPAC Name4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1cccc(Cl)c1COc1ccccc1CNc1ccc(Br)cc1
InChIInChI=1S/C20H16BrCl2NO/c21-15-8-10-16(11-9-15)24-12-14-4-1-2-7-20(14)25-13-17-18(22)5-3-6-19(17)23/h1-11,24H,12-13H2
InChIKeyHHIAZAMTHJTXAY-UHFFFAOYSA-N
XLogP6.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.16
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 23996472
4-bromo-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 28616119
N-[[2-[(4-bromophenyl)methoxy]phenyl]methyl]-3-chloro-2-methylaniline
CID 126127109
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126123701
4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 5201941
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540399
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
CID 55222863
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
N-[4-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66543005
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methoxyaniline
CID 66540309
N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
CID 126116599

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline (CID 23851103) is 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline is Clc1cccc(Cl)c1COc1ccccc1CNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is HHIAZAMTHJTXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2NO/c21-15-8-10-16(11-9-15)24-12-14-4-1-2-7-20(14)25-13-17-18(22)5-3-6-19(17)23/h1-11,24H,12-13H2.
What are the key properties of 4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline?
4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 437.16 g/mol, XLogP of 6.95, 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-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 23851103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).