N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C18H24N2O — CID 62298097

IUPACN-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCc1cccc(Oc2cccc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C18H24N2O/c1-5-14-8-6-10-16(12-14)21-17-11-7-9-15(20-17)13-19-18(2,3)4/h6-12,19H,5,13H2,1-4H3
InChIKeyCTWXQXZIAXPISV-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.32
Rot. Bonds5

About N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62298097) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62298097
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCc1cccc(Oc2cccc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C18H24N2O/c1-5-14-8-6-10-16(12-14)21-17-11-7-9-15(20-17)13-19-18(2,3)4/h6-12,19H,5,13H2,1-4H3
InChIKeyCTWXQXZIAXPISV-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62298097) is N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CCc1cccc(Oc2cccc(CNC(C)(C)C)n2)c1.
What is the InChIKey of N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CTWXQXZIAXPISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-14-8-6-10-16(12-14)21-17-11-7-9-15(20-17)13-19-18(2,3)4/h6-12,19H,5,13H2,1-4H3.
What are the key properties of N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62298097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).