3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine

C16H16N2O — CID 102878125

IUPAC3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCc1cncc(COc2ccccc2C#CCN)c1
InChIInChI=1S/C16H16N2O/c1-13-9-14(11-18-10-13)12-19-16-7-3-2-5-15(16)6-4-8-17/h2-3,5,7,9-11H,8,12,17H2,1H3
InChIKeyWAHFEVXMSXNSAG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.28
Rot. Bonds3

About 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine

3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine (PubChem CID 102878125) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
PubChem CID102878125
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCc1cncc(COc2ccccc2C#CCN)c1
InChIInChI=1S/C16H16N2O/c1-13-9-14(11-18-10-13)12-19-16-7-3-2-5-15(16)6-4-8-17/h2-3,5,7,9-11H,8,12,17H2,1H3
InChIKeyWAHFEVXMSXNSAG-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.28
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

3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 61030126
3-[[2-(3-chloroprop-1-ynyl)-4-methylphenoxy]methyl]-5-methylpyridine
CID 102878103
3-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62160017
3-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 54923523
3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801508
3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
CID 82884234
6-methyl-3-[(5-methyl-3-pyridinyl)methoxy]pyridin-2-amine
CID 102880225
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 60801205
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
3-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706976
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880419
3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 60801675

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine (CID 102878125) is 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine is Cc1cncc(COc2ccccc2C#CCN)c1.
What is the InChIKey of 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is WAHFEVXMSXNSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-13-9-14(11-18-10-13)12-19-16-7-3-2-5-15(16)6-4-8-17/h2-3,5,7,9-11H,8,12,17H2,1H3.
What are the key properties of 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 102878125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).