2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C13H17F3N2 — CID 60890603

IUPAC2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCN(CC(F)(F)F)C1CCc2ccccc2C1N
InChIInChI=1S/C13H17F3N2/c1-18(8-13(14,15)16)11-7-6-9-4-2-3-5-10(9)12(11)17/h2-5,11-12H,6-8,17H2,1H3
InChIKeyXKKAIILFFRJMDO-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.50
Rot. Bonds2

About 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 60890603) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID60890603
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCN(CC(F)(F)F)C1CCc2ccccc2C1N
InChIInChI=1S/C13H17F3N2/c1-18(8-13(14,15)16)11-7-6-9-4-2-3-5-10(9)12(11)17/h2-5,11-12H,6-8,17H2,1H3
InChIKeyXKKAIILFFRJMDO-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 60890603) is 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CN(CC(F)(F)F)C1CCc2ccccc2C1N.
What is the InChIKey of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is XKKAIILFFRJMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-18(8-13(14,15)16)11-7-6-9-4-2-3-5-10(9)12(11)17/h2-5,11-12H,6-8,17H2,1H3.
What are the key properties of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 258.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 60890603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).