N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine

C18H20N2O — CID 79784026

IUPACN-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC#Cc2ccccc2)cn1
InChIInChI=1S/C18H20N2O/c1-15(2)19-13-17-10-11-18(14-20-17)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,19H,12-13H2,1-2H3
InChIKeyOAWGWRQHPFHZCC-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.01
Rot. Bonds5

About N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79784026) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID79784026
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC#Cc2ccccc2)cn1
InChIInChI=1S/C18H20N2O/c1-15(2)19-13-17-10-11-18(14-20-17)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,19H,12-13H2,1-2H3
InChIKeyOAWGWRQHPFHZCC-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-(3-phenylprop-2-ynoxy)benzene
CID 107668986
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
1-[4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340342
N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
1-[4-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62338863
N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
CID 62341837
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781881

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine (CID 79784026) is N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCC#Cc2ccccc2)cn1.
What is the InChIKey of N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is OAWGWRQHPFHZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-15(2)19-13-17-10-11-18(14-20-17)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,19H,12-13H2,1-2H3.
What are the key properties of N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79784026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).