3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine

C10H13F3N2O — CID 43752970

IUPAC3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine
SMILESNCC(OCCc1ccccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9(7-14)16-6-4-8-3-1-2-5-15-8/h1-3,5,9H,4,6-7,14H2
InChIKeyMMEQUKNISLCUNA-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.53
Rot. Bonds5

About 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine

3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine (PubChem CID 43752970) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine
PubChem CID43752970
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine
SMILESNCC(OCCc1ccccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9(7-14)16-6-4-8-3-1-2-5-15-8/h1-3,5,9H,4,6-7,14H2
InChIKeyMMEQUKNISLCUNA-UHFFFAOYSA-N
XLogP1.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroethyl)pyridine
CID 23246235
3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
CID 103370979
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)hydrazine
CID 105215565
ethyl 3-(2-pyridin-2-ylethoxy)butanoate
CID 115001946
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 83045178
3-(2-pyridin-2-ylethoxy)pentanenitrile
CID 43175139
N-(pyridin-2-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275980

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine (CID 43752970) is 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine is NCC(OCCc1ccccn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine?
The InChIKey is MMEQUKNISLCUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)9(7-14)16-6-4-8-3-1-2-5-15-8/h1-3,5,9H,4,6-7,14H2.
What are the key properties of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine?
3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine has a molecular weight of 234.22 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine is sourced from PubChem (CID 43752970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).