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

C23H24BrNO — CID 126119216

IUPACN-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
SMILESCc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2Br)cc1
InChIInChI=1S/C23H24BrNO/c1-16-4-7-19(8-5-16)15-26-23-11-9-20(13-22(23)24)14-25-21-10-6-17(2)18(3)12-21/h4-13,25H,14-15H2,1-3H3
InChIKeyMHAUQEQRTVBEQB-UHFFFAOYSA-N
MW410.36 g/mol
LogP6.57
Rot. Bonds6

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

N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline (PubChem CID 126119216) has the molecular formula C23H24BrNO and a molecular weight of 410.36 g/mol. Its IUPAC name is N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
PubChem CID126119216
Molecular FormulaC23H24BrNO
Molecular Weight410.36 g/mol
Exact Mass409.10
IUPAC NameN-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
SMILESCc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2Br)cc1
InChIInChI=1S/C23H24BrNO/c1-16-4-7-19(8-5-16)15-26-23-11-9-20(13-22(23)24)14-25-21-10-6-17(2)18(3)12-21/h4-13,25H,14-15H2,1-3H3
InChIKeyMHAUQEQRTVBEQB-UHFFFAOYSA-N
XLogP6.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 56.57
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-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128389
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
CID 993814
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126120045
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125185
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3575641
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897
2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
N-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125583
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
The IUPAC name of N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline (CID 126119216) is N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline is Cc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2Br)cc1.
What is the InChIKey of N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
The InChIKey is MHAUQEQRTVBEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO/c1-16-4-7-19(8-5-16)15-26-23-11-9-20(13-22(23)24)14-25-21-10-6-17(2)18(3)12-21/h4-13,25H,14-15H2,1-3H3.
What are the key properties of N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline?
N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline has a molecular weight of 410.36 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline is sourced from PubChem (CID 126119216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).