N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C11H16F3N3O — CID 83038922

IUPACN-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-18-7-6-15-4-5-16-10-3-2-9(8-17-10)11(12,13)14/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyZGQRKOGXWXYEME-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.75
Rot. Bonds7

About N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 83038922) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID83038922
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-18-7-6-15-4-5-16-10-3-2-9(8-17-10)11(12,13)14/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyZGQRKOGXWXYEME-UHFFFAOYSA-N
XLogP1.75
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106242955
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641
1-(3-methoxypropyl)-2-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 110974588
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-amine
CID 62579002
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-amine
CID 55091984
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 83038922) is N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is COCCNCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is ZGQRKOGXWXYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-18-7-6-15-4-5-16-10-3-2-9(8-17-10)11(12,13)14/h2-3,8,15H,4-7H2,1H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 263.26 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 83038922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).