2,5-dibromo-N-(1-cyclopropylpropyl)aniline

C12H15Br2N — CID 64919710

IUPAC2,5-dibromo-N-(1-cyclopropylpropyl)aniline
SMILESCCC(Nc1cc(Br)ccc1Br)C1CC1
InChIInChI=1S/C12H15Br2N/c1-2-11(8-3-4-8)15-12-7-9(13)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3
InChIKeyRFHNITDRPLACNA-UHFFFAOYSA-N
MW333.07 g/mol
LogP4.81
Rot. Bonds4

About 2,5-dibromo-N-(1-cyclopropylpropyl)aniline

2,5-dibromo-N-(1-cyclopropylpropyl)aniline (PubChem CID 64919710) has the molecular formula C12H15Br2N and a molecular weight of 333.07 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-cyclopropylpropyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(1-cyclopropylpropyl)aniline
PubChem CID64919710
Molecular FormulaC12H15Br2N
Molecular Weight333.07 g/mol
Exact Mass330.96
IUPAC Name2,5-dibromo-N-(1-cyclopropylpropyl)aniline
SMILESCCC(Nc1cc(Br)ccc1Br)C1CC1
InChIInChI=1S/C12H15Br2N/c1-2-11(8-3-4-8)15-12-7-9(13)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3
InChIKeyRFHNITDRPLACNA-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-cyclopropylpropyl)aniline?
The IUPAC name of 2,5-dibromo-N-(1-cyclopropylpropyl)aniline (CID 64919710) is 2,5-dibromo-N-(1-cyclopropylpropyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(1-cyclopropylpropyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(1-cyclopropylpropyl)aniline is CCC(Nc1cc(Br)ccc1Br)C1CC1.
What is the InChIKey of 2,5-dibromo-N-(1-cyclopropylpropyl)aniline?
The InChIKey is RFHNITDRPLACNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N/c1-2-11(8-3-4-8)15-12-7-9(13)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3.
What are the key properties of 2,5-dibromo-N-(1-cyclopropylpropyl)aniline?
2,5-dibromo-N-(1-cyclopropylpropyl)aniline has a molecular weight of 333.07 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-cyclopropylpropyl)aniline is sourced from PubChem (CID 64919710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).