N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine

C10H14F3N3O — CID 114280854

IUPACN-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
SMILESCCNCCNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-2-14-5-6-15-9-4-3-8(7-16-9)17-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyOOPQAMSCJYHSMM-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.00
Rot. Bonds6

About N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine

N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 114280854) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
PubChem CID114280854
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
SMILESCCNCCNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-2-14-5-6-15-9-4-3-8(7-16-9)17-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyOOPQAMSCJYHSMM-UHFFFAOYSA-N
XLogP2.00
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.00
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-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133487556
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489757
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388
N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159
5-methoxy-N-propylpyridin-2-amine
CID 106503925
N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide
CID 133490173
2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
CID 146439449
2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine
CID 114280858
N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
CID 133489708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine (CID 114280854) is N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine is CCNCCNc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is OOPQAMSCJYHSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-14-5-6-15-9-4-3-8(7-16-9)17-10(11,12)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine?
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 249.24 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 114280854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).