1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine

C18H20N2O — CID 79164896

IUPAC1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCC#Cc2ccccc2)c(CC(C)N)n1
InChIInChI=1S/C18H20N2O/c1-14(19)13-17-18(11-10-15(2)20-17)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,12-13,19H2,1-2H3
InChIKeyIJULSOPHMLMPPE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.71
Rot. Bonds4

About 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine

1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine (PubChem CID 79164896) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine
PubChem CID79164896
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCC#Cc2ccccc2)c(CC(C)N)n1
InChIInChI=1S/C18H20N2O/c1-14(19)13-17-18(11-10-15(2)20-17)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,12-13,19H2,1-2H3
InChIKeyIJULSOPHMLMPPE-UHFFFAOYSA-N
XLogP2.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.71
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

2-Methyl-6-(3-p-tolyloxy-prop-1-ynyl)pyridine
CID 11481793
3-[[(S)-2-Azetidinyl]methoxy]-5-(phenylethynyl)pyridine
CID 71522989
3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethynyl]-5-fluoro-N,N-dimethylaniline
CID 71569958
3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3-methylphenyl)ethynyl]pyridine
CID 71570102
3-[[(2R)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
CID 72712464
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
2-(3-(4-Isopropylphenoxy)prop-1-ynyl)-6-methylpyridine
CID 11323067
3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynyl-2-methylpyridine
CID 71525308
3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
CID 71569952
3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine
CID 71584798
5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 71584829
3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynyl-2-methylpyridine
CID 71584830

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine (CID 79164896) is 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine is Cc1ccc(OCC#Cc2ccccc2)c(CC(C)N)n1.
What is the InChIKey of 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine?
The InChIKey is IJULSOPHMLMPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(19)13-17-18(11-10-15(2)20-17)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,12-13,19H2,1-2H3.
What are the key properties of 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine?
1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79164896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).