N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C18H24N2O — CID 62322927

IUPACN-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(C)c(Oc2ncccc2CNC(C)C)c1C
InChIInChI=1S/C18H24N2O/c1-12(2)20-11-16-7-6-10-19-18(16)21-17-14(4)9-8-13(3)15(17)5/h6-10,12,20H,11H2,1-5H3
InChIKeyIOOHQFFGQJPXPT-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.30
Rot. Bonds5

About N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62322927) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62322927
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(C)c(Oc2ncccc2CNC(C)C)c1C
InChIInChI=1S/C18H24N2O/c1-12(2)20-11-16-7-6-10-19-18(16)21-17-14(4)9-8-13(3)15(17)5/h6-10,12,20H,11H2,1-5H3
InChIKeyIOOHQFFGQJPXPT-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62322927) is N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is Cc1ccc(C)c(Oc2ncccc2CNC(C)C)c1C.
What is the InChIKey of N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is IOOHQFFGQJPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(2)20-11-16-7-6-10-19-18(16)21-17-14(4)9-8-13(3)15(17)5/h6-10,12,20H,11H2,1-5H3.
What are the key properties of N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62322927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).