N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

C12H17F3N2 — CID 102709215

IUPACN-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCNCCC(C)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-3-16-6-4-9(2)10-8-17-7-5-11(10)12(13,14)15/h5,7-9,16H,3-4,6H2,1-2H3
InChIKeyVZRDMXCBICJKHZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (PubChem CID 102709215) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
PubChem CID102709215
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCNCCC(C)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-3-16-6-4-9(2)10-8-17-7-5-11(10)12(13,14)15/h5,7-9,16H,3-4,6H2,1-2H3
InChIKeyVZRDMXCBICJKHZ-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
[2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]hexyl]hydrazine
CID 114247323
4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
CID 171890626
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
N-ethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 107290717
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
CID 102708886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (CID 102709215) is N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is CCNCCC(C)c1cnccc1C(F)(F)F.
What is the InChIKey of N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The InChIKey is VZRDMXCBICJKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-3-16-6-4-9(2)10-8-17-7-5-11(10)12(13,14)15/h5,7-9,16H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine has a molecular weight of 246.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 102709215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).