5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine

C17H19BrN2 — CID 115148300

IUPAC5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)Cc2ccc3c(c2)CCC3)ccc1Br
InChIInChI=1S/C17H19BrN2/c1-12-16(18)8-9-17(19-12)20(2)11-13-6-7-14-4-3-5-15(14)10-13/h6-10H,3-5,11H2,1-2H3
InChIKeyLBMRZYUWFRPFHM-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.28
Rot. Bonds3

About 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine

5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine (PubChem CID 115148300) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine
PubChem CID115148300
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)Cc2ccc3c(c2)CCC3)ccc1Br
InChIInChI=1S/C17H19BrN2/c1-12-16(18)8-9-17(19-12)20(2)11-13-6-7-14-4-3-5-15(14)10-13/h6-10H,3-5,11H2,1-2H3
InChIKeyLBMRZYUWFRPFHM-UHFFFAOYSA-N
XLogP4.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine (CID 115148300) is 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine is Cc1nc(N(C)Cc2ccc3c(c2)CCC3)ccc1Br.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine?
The InChIKey is LBMRZYUWFRPFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12-16(18)8-9-17(19-12)20(2)11-13-6-7-14-4-3-5-15(14)10-13/h6-10H,3-5,11H2,1-2H3.
What are the key properties of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine?
5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine has a molecular weight of 331.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 115148300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).