N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine

C14H21F3N2 — CID 63198163

IUPACN-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine
SMILESCCNC(C)C(c1cccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C14H21F3N2/c1-5-18-10(4)13(9(2)3)11-7-6-8-12(19-11)14(15,16)17/h6-10,13,18H,5H2,1-4H3
InChIKeyQXUYKJKSKOQMCR-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.84
Rot. Bonds5

About N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine

N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine (PubChem CID 63198163) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine
PubChem CID63198163
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine
SMILESCCNC(C)C(c1cccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C14H21F3N2/c1-5-18-10(4)13(9(2)3)11-7-6-8-12(19-11)14(15,16)17/h6-10,13,18H,5H2,1-4H3
InChIKeyQXUYKJKSKOQMCR-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine (CID 63198163) is N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine is CCNC(C)C(c1cccc(C(F)(F)F)n1)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine?
The InChIKey is QXUYKJKSKOQMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-5-18-10(4)13(9(2)3)11-7-6-8-12(19-11)14(15,16)17/h6-10,13,18H,5H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine?
N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine has a molecular weight of 274.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine is sourced from PubChem (CID 63198163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).