1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride

C10H13Cl2F3N2O — CID 71757688

IUPAC1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COc1ncc(C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C10H12ClF3N2O.ClH/c1-9(2,15)5-17-8-7(11)3-6(4-16-8)10(12,13)14;/h3-4H,5,15H2,1-2H3;1H
InChIKeyRMBFOAKSVIQFLG-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.29
Rot. Bonds3

About 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride (PubChem CID 71757688) has the molecular formula C10H13Cl2F3N2O and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride
PubChem CID71757688
Molecular FormulaC10H13Cl2F3N2O
Molecular Weight305.13 g/mol
Exact Mass304.04
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COc1ncc(C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C10H12ClF3N2O.ClH/c1-9(2,15)5-17-8-7(11)3-6(4-16-8)10(12,13)14;/h3-4H,5,15H2,1-2H3;1H
InChIKeyRMBFOAKSVIQFLG-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride (CID 71757688) is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)COc1ncc(C(F)(F)F)cc1Cl.Cl.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is RMBFOAKSVIQFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O.ClH/c1-9(2,15)5-17-8-7(11)3-6(4-16-8)10(12,13)14;/h3-4H,5,15H2,1-2H3;1H.
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride?
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 305.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 71757688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).