N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline

C20H16BrCl2NO — CID 126122407

IUPACN-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
SMILESClc1cc(Cl)c(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1
InChIInChI=1S/C20H16BrCl2NO/c21-16-8-6-14(7-9-16)13-25-20-15(10-17(22)11-19(20)23)12-24-18-4-2-1-3-5-18/h1-11,24H,12-13H2
InChIKeyKNYVHIUQNBFLFI-UHFFFAOYSA-N
MW437.16 g/mol
LogP6.95
Rot. Bonds6

About N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline

N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline (PubChem CID 126122407) has the molecular formula C20H16BrCl2NO and a molecular weight of 437.16 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
PubChem CID126122407
Molecular FormulaC20H16BrCl2NO
Molecular Weight437.16 g/mol
Exact Mass434.98
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
SMILESClc1cc(Cl)c(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1
InChIInChI=1S/C20H16BrCl2NO/c21-16-8-6-14(7-9-16)13-25-20-15(10-17(22)11-19(20)23)12-24-18-4-2-1-3-5-18/h1-11,24H,12-13H2
InChIKeyKNYVHIUQNBFLFI-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

N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126117021
N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
CID 126116599
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126127653
N-[[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126123365
3,4-dichloro-N-[[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126209958
N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126122230
1-[2-[(3-bromophenyl)methoxy]-3,5-dichlorophenyl]-N-methylmethanamine
CID 63501527
4-bromo-N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66539871
(1S)-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 35697732
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263
N-[(3,5-dichloro-2-prop-2-enoxyphenyl)methyl]-4-phenoxyaniline
CID 126124158

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline (CID 126122407) is N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline is Clc1cc(Cl)c(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline?
The InChIKey is KNYVHIUQNBFLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2NO/c21-16-8-6-14(7-9-16)13-25-20-15(10-17(22)11-19(20)23)12-24-18-4-2-1-3-5-18/h1-11,24H,12-13H2.
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline?
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]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 N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline is sourced from PubChem (CID 126122407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).