N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

C10H17F3N2 — CID 114489971

IUPACN-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCCNCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-2-14-5-8-15-6-3-9(4-7-15)10(11,12)13/h3,14H,2,4-8H2,1H3
InChIKeySVHVCCLYGNZMEG-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds4

About N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (PubChem CID 114489971) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
PubChem CID114489971
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCCNCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-2-14-5-8-15-6-3-9(4-7-15)10(11,12)13/h3,14H,2,4-8H2,1H3
InChIKeySVHVCCLYGNZMEG-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (CID 114489971) is N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is CCNCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The InChIKey is SVHVCCLYGNZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-2-14-5-8-15-6-3-9(4-7-15)10(11,12)13/h3,14H,2,4-8H2,1H3.
What are the key properties of N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 114489971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).