N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine

C10H13F3N2 — CID 66468597

IUPACN-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-2-15-9(10(11,12)13)6-8-4-3-5-14-7-8/h3-5,7,9,15H,2,6H2,1H3
InChIKeyBJVWWMRDLSSXEO-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine

N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine (PubChem CID 66468597) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
PubChem CID66468597
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-2-15-9(10(11,12)13)6-8-4-3-5-14-7-8/h3-5,7,9,15H,2,6H2,1H3
InChIKeyBJVWWMRDLSSXEO-UHFFFAOYSA-N
XLogP2.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
CID 104736506
N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
CID 66447078
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736340
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 105034585

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine (CID 66468597) is N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1cccnc1)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine?
The InChIKey is BJVWWMRDLSSXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-2-15-9(10(11,12)13)6-8-4-3-5-14-7-8/h3-5,7,9,15H,2,6H2,1H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine?
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine has a molecular weight of 218.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 66468597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).