6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C15H22BrN — CID 55247877

IUPAC6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN/c1-15(2,3)10-17-14-7-5-11-8-13(16)6-4-12(11)9-14/h4,6,8,14,17H,5,7,9-10H2,1-3H3
InChIKeyOLOXMIFFSMSNCE-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.94
Rot. Bonds2

About 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55247877) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55247877
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN/c1-15(2,3)10-17-14-7-5-11-8-13(16)6-4-12(11)9-14/h4,6,8,14,17H,5,7,9-10H2,1-3H3
InChIKeyOLOXMIFFSMSNCE-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55247877) is 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(C)(C)CNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OLOXMIFFSMSNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-15(2,3)10-17-14-7-5-11-8-13(16)6-4-12(11)9-14/h4,6,8,14,17H,5,7,9-10H2,1-3H3.
What are the key properties of 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 296.25 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55247877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).