3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine

C17H18N2O2 — CID 82884234

IUPAC3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCOc1cc(C)nc(COc2ccccc2C#CCN)c1
InChIInChI=1S/C17H18N2O2/c1-13-10-16(20-2)11-15(19-13)12-21-17-8-4-3-6-14(17)7-5-9-18/h3-4,6,8,10-11H,9,12,18H2,1-2H3
InChIKeyJUVHZXMJZLXNJZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.29
Rot. Bonds4

About 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine

3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine (PubChem CID 82884234) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
PubChem CID82884234
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCOc1cc(C)nc(COc2ccccc2C#CCN)c1
InChIInChI=1S/C17H18N2O2/c1-13-10-16(20-2)11-15(19-13)12-21-17-8-4-3-6-14(17)7-5-9-18/h3-4,6,8,10-11H,9,12,18H2,1-2H3
InChIKeyJUVHZXMJZLXNJZ-UHFFFAOYSA-N
XLogP2.29
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-6-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891847
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
3-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62160017
3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 61030126
4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891927
3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
CID 102878125
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
CID 79261399
2-chloro-6-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 82887239
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
3-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801672

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine (CID 82884234) is 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine is COc1cc(C)nc(COc2ccccc2C#CCN)c1.
What is the InChIKey of 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is JUVHZXMJZLXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-10-16(20-2)11-15(19-13)12-21-17-8-4-3-6-14(17)7-5-9-18/h3-4,6,8,10-11H,9,12,18H2,1-2H3.
What are the key properties of 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine?
3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 282.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 82884234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).