N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine

C14H21F3N2O — CID 66276604

IUPACN-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2O/c1-8(2)18-7-12-9(3)6-10(4)19-13(12)20-11(5)14(15,16)17/h6,8,11,18H,7H2,1-5H3
InChIKeyHYHPNGVWGAIVHX-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.53
Rot. Bonds5

About N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine

N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 66276604) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID66276604
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2O/c1-8(2)18-7-12-9(3)6-10(4)19-13(12)20-11(5)14(15,16)17/h6,8,11,18H,7H2,1-5H3
InChIKeyHYHPNGVWGAIVHX-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine (CID 66276604) is N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(C)c(CNC(C)C)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is HYHPNGVWGAIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-8(2)18-7-12-9(3)6-10(4)19-13(12)20-11(5)14(15,16)17/h6,8,11,18H,7H2,1-5H3.
What are the key properties of N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 66276604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).