1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine

C11H17F3N2 — CID 123146556

IUPAC1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine
SMILESCCC(N)C1N=CC=C(C(F)(F)F)C1CC
InChIInChI=1S/C11H17F3N2/c1-3-7-8(11(12,13)14)5-6-16-10(7)9(15)4-2/h5-7,9-10H,3-4,15H2,1-2H3
InChIKeyOOIZVHAXZDPPMN-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.69
Rot. Bonds3

About 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine

1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine (PubChem CID 123146556) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine
PubChem CID123146556
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine
SMILESCCC(N)C1N=CC=C(C(F)(F)F)C1CC
InChIInChI=1S/C11H17F3N2/c1-3-7-8(11(12,13)14)5-6-16-10(7)9(15)4-2/h5-7,9-10H,3-4,15H2,1-2H3
InChIKeyOOIZVHAXZDPPMN-UHFFFAOYSA-N
XLogP2.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine?
The IUPAC name of 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine (CID 123146556) is 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine.
What is the SMILES notation for 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine?
The canonical SMILES for 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine is CCC(N)C1N=CC=C(C(F)(F)F)C1CC.
What is the InChIKey of 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine?
The InChIKey is OOIZVHAXZDPPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-3-7-8(11(12,13)14)5-6-16-10(7)9(15)4-2/h5-7,9-10H,3-4,15H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine?
1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine is sourced from PubChem (CID 123146556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).