3,5-dibromo-N,N-diethylaniline

C10H13Br2N — CID 134337323

IUPAC3,5-dibromo-N,N-diethylaniline
SMILESCCN(CC)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2N/c1-3-13(4-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyXIWBNSSKSABVFB-UHFFFAOYSA-N
MW307.03 g/mol
LogP4.06
Rot. Bonds3

About 3,5-dibromo-N,N-diethylaniline

3,5-dibromo-N,N-diethylaniline (PubChem CID 134337323) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 3,5-dibromo-N,N-diethylaniline.

Molecular Properties

Compound Name3,5-dibromo-N,N-diethylaniline
PubChem CID134337323
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name3,5-dibromo-N,N-diethylaniline
SMILESCCN(CC)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2N/c1-3-13(4-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyXIWBNSSKSABVFB-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N,N-diethylaniline?
The IUPAC name of 3,5-dibromo-N,N-diethylaniline (CID 134337323) is 3,5-dibromo-N,N-diethylaniline.
What is the SMILES notation for 3,5-dibromo-N,N-diethylaniline?
The canonical SMILES for 3,5-dibromo-N,N-diethylaniline is CCN(CC)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N,N-diethylaniline?
The InChIKey is XIWBNSSKSABVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-3-13(4-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,5-dibromo-N,N-diethylaniline?
3,5-dibromo-N,N-diethylaniline has a molecular weight of 307.03 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N,N-diethylaniline is sourced from PubChem (CID 134337323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).