N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine

C15H17BrN2O — CID 79090045

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O/c1-10-3-4-11(2)18(10)17-14-7-8-19-15-6-5-12(16)9-13(14)15/h3-6,9,14,17H,7-8H2,1-2H3
InChIKeyIVTQVEUCABNIAB-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.93
Rot. Bonds2

About N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine (PubChem CID 79090045) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
PubChem CID79090045
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O/c1-10-3-4-11(2)18(10)17-14-7-8-19-15-6-5-12(16)9-13(14)15/h3-6,9,14,17H,7-8H2,1-2H3
InChIKeyIVTQVEUCABNIAB-UHFFFAOYSA-N
XLogP3.93
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine (CID 79090045) is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC1CCOc2ccc(Br)cc21.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
The InChIKey is IVTQVEUCABNIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-3-4-11(2)18(10)17-14-7-8-19-15-6-5-12(16)9-13(14)15/h3-6,9,14,17H,7-8H2,1-2H3.
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine has a molecular weight of 321.22 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79090045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).