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

C16H21F3N2 — CID 114490718

IUPACN-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCCNCC(c1ccccc1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2/c1-2-20-12-15(13-6-4-3-5-7-13)21-10-8-14(9-11-21)16(17,18)19/h3-8,15,20H,2,9-12H2,1H3
InChIKeyFJHYVUJTMMZCLX-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.53
Rot. Bonds5

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

N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (PubChem CID 114490718) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
PubChem CID114490718
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCCNCC(c1ccccc1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2/c1-2-20-12-15(13-6-4-3-5-7-13)21-10-8-14(9-11-21)16(17,18)19/h3-8,15,20H,2,9-12H2,1H3
InChIKeyFJHYVUJTMMZCLX-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (CID 114490718) is N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is CCNCC(c1ccccc1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The InChIKey is FJHYVUJTMMZCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-2-20-12-15(13-6-4-3-5-7-13)21-10-8-14(9-11-21)16(17,18)19/h3-8,15,20H,2,9-12H2,1H3.
What are the key properties of N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine has a molecular weight of 298.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 114490718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).