1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride

C9H12ClF3N2O — CID 138505355

IUPAC1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
SMILESCOc1cnc(C(F)(F)F)cc1C(C)N.Cl
InChIInChI=1S/C9H11F3N2O.ClH/c1-5(13)6-3-8(9(10,11)12)14-4-7(6)15-2;/h3-5H,13H2,1-2H3;1H
InChIKeyCUGLADMIQQQOAN-UHFFFAOYSA-N
MW256.65 g/mol
LogP2.55
Rot. Bonds2

About 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride

1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride (PubChem CID 138505355) has the molecular formula C9H12ClF3N2O and a molecular weight of 256.65 g/mol. Its IUPAC name is 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
PubChem CID138505355
Molecular FormulaC9H12ClF3N2O
Molecular Weight256.65 g/mol
Exact Mass256.06
IUPAC Name1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
SMILESCOc1cnc(C(F)(F)F)cc1C(C)N.Cl
InChIInChI=1S/C9H11F3N2O.ClH/c1-5(13)6-3-8(9(10,11)12)14-4-7(6)15-2;/h3-5H,13H2,1-2H3;1H
InChIKeyCUGLADMIQQQOAN-UHFFFAOYSA-N
XLogP2.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
The IUPAC name of 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride (CID 138505355) is 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride is COc1cnc(C(F)(F)F)cc1C(C)N.Cl.
What is the InChIKey of 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
The InChIKey is CUGLADMIQQQOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.ClH/c1-5(13)6-3-8(9(10,11)12)14-4-7(6)15-2;/h3-5H,13H2,1-2H3;1H.
What are the key properties of 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride has a molecular weight of 256.65 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride is sourced from PubChem (CID 138505355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).