N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine

C18H22N2O — CID 76938521

IUPACN-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCC=Cc2ccccc2)ccn1
InChIInChI=1S/C18H22N2O/c1-2-11-19-15-17-14-18(10-12-20-17)21-13-6-9-16-7-4-3-5-8-16/h3-10,12,14,19H,2,11,13,15H2,1H3
InChIKeyJMVFCIKCVKBTGV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds8

About N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 76938521) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID76938521
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCC=Cc2ccccc2)ccn1
InChIInChI=1S/C18H22N2O/c1-2-11-19-15-17-14-18(10-12-20-17)21-13-6-9-16-7-4-3-5-8-16/h3-10,12,14,19H,2,11,13,15H2,1H3
InChIKeyJMVFCIKCVKBTGV-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
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-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine
CID 62288081
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344
N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
CID 63984828
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207
N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine
CID 79775593
N-methyl-N-[2-[[2-(propylaminomethyl)-4-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740576
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine (CID 76938521) is N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(OCC=Cc2ccccc2)ccn1.
What is the InChIKey of N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is JMVFCIKCVKBTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-11-19-15-17-14-18(10-12-20-17)21-13-6-9-16-7-4-3-5-8-16/h3-10,12,14,19H,2,11,13,15H2,1H3.
What are the key properties of N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 76938521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).