6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C13H18BrN — CID 63625487

IUPAC6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H18BrN/c1-9(2)15-13-6-4-10-7-12(14)5-3-11(10)8-13/h3,5,7,9,13,15H,4,6,8H2,1-2H3
InChIKeyZKQJUAZFKUZRHC-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.30
Rot. Bonds2

About 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625487) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625487
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H18BrN/c1-9(2)15-13-6-4-10-7-12(14)5-3-11(10)8-13/h3,5,7,9,13,15H,4,6,8H2,1-2H3
InChIKeyZKQJUAZFKUZRHC-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625487) is 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CC(C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZKQJUAZFKUZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(2)15-13-6-4-10-7-12(14)5-3-11(10)8-13/h3,5,7,9,13,15H,4,6,8H2,1-2H3.
What are the key properties of 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 268.20 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).