N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine

C18H24N2O — CID 62548588

IUPACN-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(CCC)cc2)nc1
InChIInChI=1S/C18H24N2O/c1-3-5-15-6-9-17(10-7-15)21-18-11-8-16(14-20-18)13-19-12-4-2/h6-11,14,19H,3-5,12-13H2,1-2H3
InChIKeySKNDWNIXKWQLSI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.33
Rot. Bonds8

About N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62548588) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62548588
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(CCC)cc2)nc1
InChIInChI=1S/C18H24N2O/c1-3-5-15-6-9-17(10-7-15)21-18-11-8-16(14-20-18)13-19-12-4-2/h6-11,14,19H,3-5,12-13H2,1-2H3
InChIKeySKNDWNIXKWQLSI-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.33
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-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55232067
N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275313
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176696
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62548588) is N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccc(CCC)cc2)nc1.
What is the InChIKey of N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is SKNDWNIXKWQLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-5-15-6-9-17(10-7-15)21-18-11-8-16(14-20-18)13-19-12-4-2/h6-11,14,19H,3-5,12-13H2,1-2H3.
What are the key properties of N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62548588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).