4-bromo-N-propan-2-ylaniline;hydrobromide

C9H13Br2N — CID 75531503

IUPAC4-bromo-N-propan-2-ylaniline;hydrobromide
SMILESBr.CC(C)Nc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN.BrH/c1-7(2)11-9-5-3-8(10)4-6-9;/h3-7,11H,1-2H3;1H
InChIKeyMFPHIMBVRCNUKL-UHFFFAOYSA-N
MW295.02 g/mol
LogP3.85
Rot. Bonds2

About 4-bromo-N-propan-2-ylaniline;hydrobromide

4-bromo-N-propan-2-ylaniline;hydrobromide (PubChem CID 75531503) has the molecular formula C9H13Br2N and a molecular weight of 295.02 g/mol. Its IUPAC name is 4-bromo-N-propan-2-ylaniline;hydrobromide.

Molecular Properties

Compound Name4-bromo-N-propan-2-ylaniline;hydrobromide
PubChem CID75531503
Molecular FormulaC9H13Br2N
Molecular Weight295.02 g/mol
Exact Mass292.94
IUPAC Name4-bromo-N-propan-2-ylaniline;hydrobromide
SMILESBr.CC(C)Nc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN.BrH/c1-7(2)11-9-5-3-8(10)4-6-9;/h3-7,11H,1-2H3;1H
InChIKeyMFPHIMBVRCNUKL-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.02
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propan-2-ylaniline;hydrobromide?
The IUPAC name of 4-bromo-N-propan-2-ylaniline;hydrobromide (CID 75531503) is 4-bromo-N-propan-2-ylaniline;hydrobromide.
What is the SMILES notation for 4-bromo-N-propan-2-ylaniline;hydrobromide?
The canonical SMILES for 4-bromo-N-propan-2-ylaniline;hydrobromide is Br.CC(C)Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-propan-2-ylaniline;hydrobromide?
The InChIKey is MFPHIMBVRCNUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.BrH/c1-7(2)11-9-5-3-8(10)4-6-9;/h3-7,11H,1-2H3;1H.
What are the key properties of 4-bromo-N-propan-2-ylaniline;hydrobromide?
4-bromo-N-propan-2-ylaniline;hydrobromide has a molecular weight of 295.02 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propan-2-ylaniline;hydrobromide is sourced from PubChem (CID 75531503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).