6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C19H20BrN — CID 63626916

IUPAC6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NC1CCc3ccccc31)C2
InChIInChI=1S/C19H20BrN/c20-16-8-5-15-12-17(9-6-14(15)11-16)21-19-10-7-13-3-1-2-4-18(13)19/h1-5,8,11,17,19,21H,6-7,9-10,12H2
InChIKeyNVNGESAWKKGDGN-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.58
Rot. Bonds2

About 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63626916) has the molecular formula C19H20BrN and a molecular weight of 342.28 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63626916
Molecular FormulaC19H20BrN
Molecular Weight342.28 g/mol
Exact Mass341.08
IUPAC Name6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NC1CCc3ccccc31)C2
InChIInChI=1S/C19H20BrN/c20-16-8-5-15-12-17(9-6-14(15)11-16)21-19-10-7-13-3-1-2-4-18(13)19/h1-5,8,11,17,19,21H,6-7,9-10,12H2
InChIKeyNVNGESAWKKGDGN-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63626916) is 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc2c(c1)CCC(NC1CCc3ccccc31)C2.
What is the InChIKey of 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NVNGESAWKKGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN/c20-16-8-5-15-12-17(9-6-14(15)11-16)21-19-10-7-13-3-1-2-4-18(13)19/h1-5,8,11,17,19,21H,6-7,9-10,12H2.
What are the key properties of 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63626916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).