N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline

C22H22BrNO — CID 126125185

IUPACN-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1C
InChIInChI=1S/C22H22BrNO/c1-16-3-10-21(13-17(16)2)24-14-18-6-11-22(12-7-18)25-15-19-4-8-20(23)9-5-19/h3-13,24H,14-15H2,1-2H3
InChIKeyOSYPFGSGKIELHN-UHFFFAOYSA-N
MW396.33 g/mol
LogP6.26
Rot. Bonds6

About N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline

N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline (PubChem CID 126125185) has the molecular formula C22H22BrNO and a molecular weight of 396.33 g/mol. Its IUPAC name is N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
PubChem CID126125185
Molecular FormulaC22H22BrNO
Molecular Weight396.33 g/mol
Exact Mass395.09
IUPAC NameN-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1C
InChIInChI=1S/C22H22BrNO/c1-16-3-10-21(13-17(16)2)24-14-18-6-11-22(12-7-18)25-15-19-4-8-20(23)9-5-19/h3-13,24H,14-15H2,1-2H3
InChIKeyOSYPFGSGKIELHN-UHFFFAOYSA-N
XLogP6.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128810
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
3-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 126117644
N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126119216
4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
CID 107572070
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
The IUPAC name of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline (CID 126125185) is N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline is Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1C.
What is the InChIKey of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
The InChIKey is OSYPFGSGKIELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO/c1-16-3-10-21(13-17(16)2)24-14-18-6-11-22(12-7-18)25-15-19-4-8-20(23)9-5-19/h3-13,24H,14-15H2,1-2H3.
What are the key properties of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline has a molecular weight of 396.33 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline is sourced from PubChem (CID 126125185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).