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

C20H26BrNO2 — CID 139606333

IUPAC2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline
SMILESCOc1c(C)cc(Br)c(-c2c(N(C)C)cc(C)c(OC)c2C)c1C
InChIInChI=1S/C20H26BrNO2/c1-11-9-15(21)17(13(3)19(11)23-7)18-14(4)20(24-8)12(2)10-16(18)22(5)6/h9-10H,1-8H3
InChIKeyIFKXPDPECAYFHJ-UHFFFAOYSA-N
MW392.34 g/mol
LogP5.43
Rot. Bonds4

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

2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline (PubChem CID 139606333) has the molecular formula C20H26BrNO2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline.

Molecular Properties

Compound Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline
PubChem CID139606333
Molecular FormulaC20H26BrNO2
Molecular Weight392.34 g/mol
Exact Mass391.11
IUPAC Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline
SMILESCOc1c(C)cc(Br)c(-c2c(N(C)C)cc(C)c(OC)c2C)c1C
InChIInChI=1S/C20H26BrNO2/c1-11-9-15(21)17(13(3)19(11)23-7)18-14(4)20(24-8)12(2)10-16(18)22(5)6/h9-10H,1-8H3
InChIKeyIFKXPDPECAYFHJ-UHFFFAOYSA-N
XLogP5.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-N,N,3,5-tetramethylaniline?
The IUPAC name of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline (CID 139606333) is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline.
What is the SMILES notation for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline?
The canonical SMILES for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline is COc1c(C)cc(Br)c(-c2c(N(C)C)cc(C)c(OC)c2C)c1C.
What is the InChIKey of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline?
The InChIKey is IFKXPDPECAYFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO2/c1-11-9-15(21)17(13(3)19(11)23-7)18-14(4)20(24-8)12(2)10-16(18)22(5)6/h9-10H,1-8H3.
What are the key properties of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline?
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)-4-methoxy-N,N,3,5-tetramethylaniline has a molecular weight of 392.34 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 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-N,N,3,5-tetramethylaniline is sourced from PubChem (CID 139606333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).