N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine

C18H24N2O — CID 62322224

IUPACN-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C18H24N2O/c1-5-11-19-12-16-7-6-8-17(20-16)21-18-14(3)10-9-13(2)15(18)4/h6-10,19H,5,11-12H2,1-4H3
InChIKeyBMQZMYBQOBXUPQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.30
Rot. Bonds6

About N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62322224) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62322224
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C18H24N2O/c1-5-11-19-12-16-7-6-8-17(20-16)21-18-14(3)10-9-13(2)15(18)4/h6-10,19H,5,11-12H2,1-4H3
InChIKeyBMQZMYBQOBXUPQ-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296086
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(4-ethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298336
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381985
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 81326466
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 116802957
N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 62292114
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979
N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908199

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine (CID 62322224) is N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(Oc2c(C)ccc(C)c2C)n1.
What is the InChIKey of N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is BMQZMYBQOBXUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-11-19-12-16-7-6-8-17(20-16)21-18-14(3)10-9-13(2)15(18)4/h6-10,19H,5,11-12H2,1-4H3.
What are the key properties of N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62322224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).