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

C16H24BrN — CID 55249808

IUPAC6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)CC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H24BrN/c1-11(2)8-12(3)18-16-7-5-13-9-15(17)6-4-14(13)10-16/h4,6,9,11-12,16,18H,5,7-8,10H2,1-3H3
InChIKeyAQNPCBZOGCUCNF-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.33
Rot. Bonds4

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

6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55249808) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55249808
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)CC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H24BrN/c1-11(2)8-12(3)18-16-7-5-13-9-15(17)6-4-14(13)10-16/h4,6,9,11-12,16,18H,5,7-8,10H2,1-3H3
InChIKeyAQNPCBZOGCUCNF-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N-(4-methylpentan-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-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55249808) is 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(C)CC(C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is AQNPCBZOGCUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11(2)8-12(3)18-16-7-5-13-9-15(17)6-4-14(13)10-16/h4,6,9,11-12,16,18H,5,7-8,10H2,1-3H3.
What are the key properties of 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 310.28 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55249808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).