N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine

C14H14F3N3O — CID 66328499

IUPACN-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1ccc(OCCNc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-5-6-19-13(9-10)20-7-8-21-12-3-1-11(18)2-4-12/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyFNGMQCQBHRZLFQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine

N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66328499) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66328499
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1ccc(OCCNc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-5-6-19-13(9-10)20-7-8-21-12-3-1-11(18)2-4-12/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyFNGMQCQBHRZLFQ-UHFFFAOYSA-N
XLogP3.17
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid
CID 79456751
N-[2-(4-aminophenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 61227109
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-[2-(4-aminophenoxy)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449883
N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66328499) is N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine is Nc1ccc(OCCNc2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FNGMQCQBHRZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)10-5-6-19-13(9-10)20-7-8-21-12-3-1-11(18)2-4-12/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66328499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).