N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine

C17H22N2O2 — CID 62296337

IUPACN-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(Oc2ccc(C)cc2OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-18-12-14-7-9-19-17(11-14)21-15-6-5-13(2)10-16(15)20-3/h5-7,9-11,18H,4,8,12H2,1-3H3
InChIKeyGHBZVJRRJDJCGM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.69
Rot. Bonds7

About N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 62296337) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID62296337
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(Oc2ccc(C)cc2OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-18-12-14-7-9-19-17(11-14)21-15-6-5-13(2)10-16(15)20-3/h5-7,9-11,18H,4,8,12H2,1-3H3
InChIKeyGHBZVJRRJDJCGM-UHFFFAOYSA-N
XLogP3.69
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
CID 62296638
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62298106
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[2-(2-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323227
N-[[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 83234738
N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62449573
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 81151267
N-[[2-(2,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62296390
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine (CID 62296337) is N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(Oc2ccc(C)cc2OC)c1.
What is the InChIKey of N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is GHBZVJRRJDJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-8-18-12-14-7-9-19-17(11-14)21-15-6-5-13(2)10-16(15)20-3/h5-7,9-11,18H,4,8,12H2,1-3H3.
What are the key properties of N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62296337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).