[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine

C18H24N2O — CID 61176130

IUPAC[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(C(C)C)c(Oc2nc(C)cc(C)c2CN)c1
InChIInChI=1S/C18H24N2O/c1-11(2)15-7-6-12(3)8-17(15)21-18-16(10-19)13(4)9-14(5)20-18/h6-9,11H,10,19H2,1-5H3
InChIKeyCNGCPCXQZHFMGA-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.38
Rot. Bonds4

About [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine

[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine (PubChem CID 61176130) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
PubChem CID61176130
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(C(C)C)c(Oc2nc(C)cc(C)c2CN)c1
InChIInChI=1S/C18H24N2O/c1-11(2)15-7-6-12(3)8-17(15)21-18-16(10-19)13(4)9-14(5)20-18/h6-9,11H,10,19H2,1-5H3
InChIKeyCNGCPCXQZHFMGA-UHFFFAOYSA-N
XLogP4.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine (CID 61176130) is [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine is Cc1ccc(C(C)C)c(Oc2nc(C)cc(C)c2CN)c1.
What is the InChIKey of [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is CNGCPCXQZHFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11(2)15-7-6-12(3)8-17(15)21-18-16(10-19)13(4)9-14(5)20-18/h6-9,11H,10,19H2,1-5H3.
What are the key properties of [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 61176130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).