N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine

C11H15F3N2 — CID 66447078

IUPACN-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
SMILESCCNC(Cc1ncccc1C)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-15-10(11(12,13)14)7-9-8(2)5-4-6-16-9/h4-6,10,15H,3,7H2,1-2H3
InChIKeyXUQRVBCBSSDQFP-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine

N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine (PubChem CID 66447078) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
PubChem CID66447078
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
SMILESCCNC(Cc1ncccc1C)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-15-10(11(12,13)14)7-9-8(2)5-4-6-16-9/h4-6,10,15H,3,7H2,1-2H3
InChIKeyXUQRVBCBSSDQFP-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine (CID 66447078) is N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine is CCNC(Cc1ncccc1C)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is XUQRVBCBSSDQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-15-10(11(12,13)14)7-9-8(2)5-4-6-16-9/h4-6,10,15H,3,7H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine?
N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 232.25 g/mol, XLogP of 2.47, 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-(3-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 66447078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).