3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline

C17H20BrNO — CID 116962425

IUPAC3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline
SMILESCNc1cccc(-c2c(C)c(Br)c(C)c(C)c2OC)c1
InChIInChI=1S/C17H20BrNO/c1-10-11(2)17(20-5)15(12(3)16(10)18)13-7-6-8-14(9-13)19-4/h6-9,19H,1-5H3
InChIKeyORYTZLYMSIQROF-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.09
Rot. Bonds3

About 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline

3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline (PubChem CID 116962425) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline.

Molecular Properties

Compound Name3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline
PubChem CID116962425
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline
SMILESCNc1cccc(-c2c(C)c(Br)c(C)c(C)c2OC)c1
InChIInChI=1S/C17H20BrNO/c1-10-11(2)17(20-5)15(12(3)16(10)18)13-7-6-8-14(9-13)19-4/h6-9,19H,1-5H3
InChIKeyORYTZLYMSIQROF-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-Dimethylphenyl)(4-methoxy-2,5-dimethylbenzyl)amine
CID 743638
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline
CID 784349
N-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 777020
2-[2-bromo-4,6-bis(trifluoromethyl)phenyl]-4-methoxy-N,N,3,5-tetramethylaniline
CID 139606336
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethyl-3,5-bis(trifluoromethyl)aniline
CID 139606341
2-(6-Bromo-3-methoxy-2,4-dimethylphenyl)-3,5-bis(trifluoromethyl)aniline
CID 139606348
3-[2-bromo-6-(1-fluoroethoxy)-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)phenyl]-N-ethyl-2-fluoroaniline
CID 144874690
2-bromo-5-[4-(1,1-difluoroethyl)phenyl]-N,4-dimethyl-3-[(E)-2-methylbut-1-enoxy]aniline
CID 168904957
N-[(3-bromo-1,4-dimethoxynaphthalen-2-yl)methyl]-3-methylaniline
CID 134846801
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3,4-dimethylaniline
CID 43761921
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylaniline
CID 43763959
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-ethylaniline
CID 43765090

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline?
The IUPAC name of 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline (CID 116962425) is 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline.
What is the SMILES notation for 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline?
The canonical SMILES for 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline is CNc1cccc(-c2c(C)c(Br)c(C)c(C)c2OC)c1.
What is the InChIKey of 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline?
The InChIKey is ORYTZLYMSIQROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-10-11(2)17(20-5)15(12(3)16(10)18)13-7-6-8-14(9-13)19-4/h6-9,19H,1-5H3.
What are the key properties of 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline?
3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylaniline is sourced from PubChem (CID 116962425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).