(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine

C10H13F3N2O — CID 81407500

IUPAC(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESC[C@@H](NCCOC(F)(F)F)c1ccccn1
InChIInChI=1S/C10H13F3N2O/c1-8(9-4-2-3-5-15-9)14-6-7-16-10(11,12)13/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
InChIKeyMSPALLIRJZZOBY-MRVPVSSYSA-N
MW234.22 g/mol
LogP2.27
Rot. Bonds5

About (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine

(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine (PubChem CID 81407500) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
PubChem CID81407500
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESC[C@@H](NCCOC(F)(F)F)c1ccccn1
InChIInChI=1S/C10H13F3N2O/c1-8(9-4-2-3-5-15-9)14-6-7-16-10(11,12)13/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
InChIKeyMSPALLIRJZZOBY-MRVPVSSYSA-N
XLogP2.27
TPSA34.15 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 106452331
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 103178569
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
CID 60694300
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The IUPAC name of (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine (CID 81407500) is (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The canonical SMILES for (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine is C[C@@H](NCCOC(F)(F)F)c1ccccn1.
What is the InChIKey of (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The InChIKey is MSPALLIRJZZOBY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-8(9-4-2-3-5-15-9)14-6-7-16-10(11,12)13/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine?
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine is sourced from PubChem (CID 81407500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).