3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline

C15H16BrNO — CID 177019444

IUPAC3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(Br)cc1-c1cccc(N(C)C)c1
InChIInChI=1S/C15H16BrNO/c1-17(2)13-6-4-5-11(9-13)14-10-12(16)7-8-15(14)18-3/h4-10H,1-3H3
InChIKeyVQNNGIIIVCSHQV-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.19
Rot. Bonds3

About 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline

3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline (PubChem CID 177019444) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline
PubChem CID177019444
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(Br)cc1-c1cccc(N(C)C)c1
InChIInChI=1S/C15H16BrNO/c1-17(2)13-6-4-5-11(9-13)14-10-12(16)7-8-15(14)18-3/h4-10H,1-3H3
InChIKeyVQNNGIIIVCSHQV-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline (CID 177019444) is 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline is COc1ccc(Br)cc1-c1cccc(N(C)C)c1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline?
The InChIKey is VQNNGIIIVCSHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-17(2)13-6-4-5-11(9-13)14-10-12(16)7-8-15(14)18-3/h4-10H,1-3H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline?
3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 177019444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).