4-bromo-N-ethyl-2-propan-2-ylaniline

C11H16BrN — CID 67276877

IUPAC4-bromo-N-ethyl-2-propan-2-ylaniline
SMILESCCNc1ccc(Br)cc1C(C)C
InChIInChI=1S/C11H16BrN/c1-4-13-11-6-5-9(12)7-10(11)8(2)3/h5-8,13H,4H2,1-3H3
InChIKeyCZBSPNRCODOLNV-UHFFFAOYSA-N
MW242.16 g/mol
LogP4.00
Rot. Bonds3

About 4-bromo-N-ethyl-2-propan-2-ylaniline

4-bromo-N-ethyl-2-propan-2-ylaniline (PubChem CID 67276877) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-propan-2-ylaniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-propan-2-ylaniline
PubChem CID67276877
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-bromo-N-ethyl-2-propan-2-ylaniline
SMILESCCNc1ccc(Br)cc1C(C)C
InChIInChI=1S/C11H16BrN/c1-4-13-11-6-5-9(12)7-10(11)8(2)3/h5-8,13H,4H2,1-3H3
InChIKeyCZBSPNRCODOLNV-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-propan-2-ylaniline?
The IUPAC name of 4-bromo-N-ethyl-2-propan-2-ylaniline (CID 67276877) is 4-bromo-N-ethyl-2-propan-2-ylaniline.
What is the SMILES notation for 4-bromo-N-ethyl-2-propan-2-ylaniline?
The canonical SMILES for 4-bromo-N-ethyl-2-propan-2-ylaniline is CCNc1ccc(Br)cc1C(C)C.
What is the InChIKey of 4-bromo-N-ethyl-2-propan-2-ylaniline?
The InChIKey is CZBSPNRCODOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-4-13-11-6-5-9(12)7-10(11)8(2)3/h5-8,13H,4H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-2-propan-2-ylaniline?
4-bromo-N-ethyl-2-propan-2-ylaniline has a molecular weight of 242.16 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-propan-2-ylaniline is sourced from PubChem (CID 67276877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).