1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H13F3N2O2 — CID 114054015

IUPAC1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1cccnc1C(N)COCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-16-8-3-2-4-15-9(8)7(14)5-17-6-10(11,12)13/h2-4,7H,5-6,14H2,1H3
InChIKeyRLCIADLLVKLOKY-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.67
Rot. Bonds5

About 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 114054015) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID114054015
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1cccnc1C(N)COCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-16-8-3-2-4-15-9(8)7(14)5-17-6-10(11,12)13/h2-4,7H,5-6,14H2,1H3
InChIKeyRLCIADLLVKLOKY-UHFFFAOYSA-N
XLogP1.67
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
2-(2-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 78018930
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293686
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214655
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008
1-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207094
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 130713891
1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine
CID 114054414
2-(dichloromethyl)-3-methoxypyridine
CID 141354456

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 114054015) is 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine is COc1cccnc1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is RLCIADLLVKLOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-16-8-3-2-4-15-9(8)7(14)5-17-6-10(11,12)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 250.22 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 114054015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).