(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine

C10H13F3N2O — CID 67289741

IUPAC(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
SMILESCc1cc(OCC(F)(F)F)cnc1[C@@H](C)N
InChIInChI=1S/C10H13F3N2O/c1-6-3-8(16-5-10(11,12)13)4-15-9(6)7(2)14/h3-4,7H,5,14H2,1-2H3/t7-/m1/s1
InChIKeyDNRDCTXKLHFKCA-SSDOTTSWSA-N
MW234.22 g/mol
LogP2.35
Rot. Bonds3

About (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine

(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine (PubChem CID 67289741) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
PubChem CID67289741
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
SMILESCc1cc(OCC(F)(F)F)cnc1[C@@H](C)N
InChIInChI=1S/C10H13F3N2O/c1-6-3-8(16-5-10(11,12)13)4-15-9(6)7(2)14/h3-4,7H,5,14H2,1-2H3/t7-/m1/s1
InChIKeyDNRDCTXKLHFKCA-SSDOTTSWSA-N
XLogP2.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine (CID 67289741) is (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine is Cc1cc(OCC(F)(F)F)cnc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The InChIKey is DNRDCTXKLHFKCA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6-3-8(16-5-10(11,12)13)4-15-9(6)7(2)14/h3-4,7H,5,14H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 67289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).