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

C18H24N2O — CID 62296977

IUPACN-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1Oc1cccc(C)c1
InChIInChI=1S/C18H24N2O/c1-5-9-19-12-17-14(3)11-15(4)20-18(17)21-16-8-6-7-13(2)10-16/h6-8,10-11,19H,5,9,12H2,1-4H3
InChIKeyQPVNGESYRAMNSK-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.30
Rot. Bonds6

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

N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62296977) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62296977
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1Oc1cccc(C)c1
InChIInChI=1S/C18H24N2O/c1-5-9-19-12-17-14(3)11-15(4)20-18(17)21-16-8-6-7-13(2)10-16/h6-8,10-11,19H,5,9,12H2,1-4H3
InChIKeyQPVNGESYRAMNSK-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'}

Analyze N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699
1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62335805
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 19069340
1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62296968
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 62287174
[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 62336171
N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83135139
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62297821

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62296977) is N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1c(C)cc(C)nc1Oc1cccc(C)c1.
What is the InChIKey of N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is QPVNGESYRAMNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-9-19-12-17-14(3)11-15(4)20-18(17)21-16-8-6-7-13(2)10-16/h6-8,10-11,19H,5,9,12H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-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-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62296977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).