4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline

C14H17F3N2O — CID 114489526

IUPAC4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline
SMILESNc1ccc(OCCN2CC=C(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-7-19(8-6-11)9-10-20-13-3-1-12(18)2-4-13/h1-5H,6-10,18H2
InChIKeyIENGOSPROYHYIY-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.84
Rot. Bonds4

About 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline

4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline (PubChem CID 114489526) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline
PubChem CID114489526
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline
SMILESNc1ccc(OCCN2CC=C(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-7-19(8-6-11)9-10-20-13-3-1-12(18)2-4-13/h1-5H,6-10,18H2
InChIKeyIENGOSPROYHYIY-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100
1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166050
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
CID 18794477
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
N-methyl-1-[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413327
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline?
The IUPAC name of 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline (CID 114489526) is 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline is Nc1ccc(OCCN2CC=C(C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline?
The InChIKey is IENGOSPROYHYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-5-7-19(8-6-11)9-10-20-13-3-1-12(18)2-4-13/h1-5H,6-10,18H2.
What are the key properties of 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline?
4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline has a molecular weight of 286.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline is sourced from PubChem (CID 114489526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).