2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline

C18H22BrNO2 — CID 86169619

IUPAC2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline
SMILESCOc1c(C)cc(N)c(-c2c(Br)cc(C)c(OC)c2C)c1C
InChIInChI=1S/C18H22BrNO2/c1-9-7-13(19)15(11(3)17(9)21-5)16-12(4)18(22-6)10(2)8-14(16)20/h7-8H,20H2,1-6H3
InChIKeyUROSZFJDGXBLAS-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.95
Rot. Bonds3

About 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline

2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline (PubChem CID 86169619) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline.

Molecular Properties

Compound Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline
PubChem CID86169619
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline
SMILESCOc1c(C)cc(N)c(-c2c(Br)cc(C)c(OC)c2C)c1C
InChIInChI=1S/C18H22BrNO2/c1-9-7-13(19)15(11(3)17(9)21-5)16-12(4)18(22-6)10(2)8-14(16)20/h7-8H,20H2,1-6H3
InChIKeyUROSZFJDGXBLAS-UHFFFAOYSA-N
XLogP4.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline?
The IUPAC name of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline (CID 86169619) is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline.
What is the SMILES notation for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline?
The canonical SMILES for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline is COc1c(C)cc(N)c(-c2c(Br)cc(C)c(OC)c2C)c1C.
What is the InChIKey of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline?
The InChIKey is UROSZFJDGXBLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-9-7-13(19)15(11(3)17(9)21-5)16-12(4)18(22-6)10(2)8-14(16)20/h7-8H,20H2,1-6H3.
What are the key properties of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline?
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline has a molecular weight of 364.28 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylaniline is sourced from PubChem (CID 86169619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).