6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C15H19BrF3N — CID 115516771

IUPAC6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)(F)CCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H19BrF3N/c16-13-5-3-12-10-14(6-4-11(12)9-13)20-8-2-1-7-15(17,18)19/h3,5,9,14,20H,1-2,4,6-8,10H2
InChIKeyYPSACKYNLMFZHP-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.63
Rot. Bonds5

About 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115516771) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115516771
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)(F)CCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H19BrF3N/c16-13-5-3-12-10-14(6-4-11(12)9-13)20-8-2-1-7-15(17,18)19/h3,5,9,14,20H,1-2,4,6-8,10H2
InChIKeyYPSACKYNLMFZHP-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115516771) is 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine is FC(F)(F)CCCCNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is YPSACKYNLMFZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c16-13-5-3-12-10-14(6-4-11(12)9-13)20-8-2-1-7-15(17,18)19/h3,5,9,14,20H,1-2,4,6-8,10H2.
What are the key properties of 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 350.22 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115516771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).