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

C18H28BrN — CID 63627456

IUPAC6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)CC(C)(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H28BrN/c1-17(2,3)12-18(4,5)20-16-9-7-13-10-15(19)8-6-14(13)11-16/h6,8,10,16,20H,7,9,11-12H2,1-5H3
InChIKeyUZJZEPLUOSCOSI-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.11
Rot. Bonds3

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

6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627456) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627456
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC Name6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)CC(C)(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H28BrN/c1-17(2,3)12-18(4,5)20-16-9-7-13-10-15(19)8-6-14(13)11-16/h6,8,10,16,20H,7,9,11-12H2,1-5H3
InChIKeyUZJZEPLUOSCOSI-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627456) is 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(C)(C)CC(C)(C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UZJZEPLUOSCOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-17(2,3)12-18(4,5)20-16-9-7-13-10-15(19)8-6-14(13)11-16/h6,8,10,16,20H,7,9,11-12H2,1-5H3.
What are the key properties of 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 338.33 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).