N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C12H18F3N3O — CID 62588171

IUPACN-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-18(8-6-16-7-9-19-2)11-5-3-4-10(17-11)12(13,14)15/h3-5,16H,6-9H2,1-2H3
InChIKeyILJNSWAZLIOSJV-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.77
Rot. Bonds7

About N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 62588171) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID62588171
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-18(8-6-16-7-9-19-2)11-5-3-4-10(17-11)12(13,14)15/h3-5,16H,6-9H2,1-2H3
InChIKeyILJNSWAZLIOSJV-UHFFFAOYSA-N
XLogP1.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 62588171) is N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is COCCNCCN(C)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is ILJNSWAZLIOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-18(8-6-16-7-9-19-2)11-5-3-4-10(17-11)12(13,14)15/h3-5,16H,6-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 277.29 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 62588171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).