N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine

C10H13F3N2O — CID 66330279

IUPACN-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
SMILESCNCC(C)Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H13F3N2O/c1-7(6-14-2)16-9-5-8(3-4-15-9)10(11,12)13/h3-5,7,14H,6H2,1-2H3
InChIKeyRTDPVXHBCXAKQF-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.09
Rot. Bonds4

About N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine

N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine (PubChem CID 66330279) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
PubChem CID66330279
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC NameN-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
SMILESCNCC(C)Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H13F3N2O/c1-7(6-14-2)16-9-5-8(3-4-15-9)10(11,12)13/h3-5,7,14H,6H2,1-2H3
InChIKeyRTDPVXHBCXAKQF-UHFFFAOYSA-N
XLogP2.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine (CID 66330279) is N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine is CNCC(C)Oc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is RTDPVXHBCXAKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(6-14-2)16-9-5-8(3-4-15-9)10(11,12)13/h3-5,7,14H,6H2,1-2H3.
What are the key properties of N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 234.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 66330279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).