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

C17H18N2O2 — CID 83137702

IUPAC3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
SMILESCOc1cccc(COc2ccc(C#CCN)c(C)c2)n1
InChIInChI=1S/C17H18N2O2/c1-13-11-16(9-8-14(13)5-4-10-18)21-12-15-6-3-7-17(19-15)20-2/h3,6-9,11H,10,12,18H2,1-2H3
InChIKeyNMIODZZBRFDWIX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.29
Rot. Bonds4

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

3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine (PubChem CID 83137702) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
PubChem CID83137702
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
SMILESCOc1cccc(COc2ccc(C#CCN)c(C)c2)n1
InChIInChI=1S/C17H18N2O2/c1-13-11-16(9-8-14(13)5-4-10-18)21-12-15-6-3-7-17(19-15)20-2/h3,6-9,11H,10,12,18H2,1-2H3
InChIKeyNMIODZZBRFDWIX-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-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-6-methylpyridine
CID 83135260
2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724
3-[4-[(2,3-difluorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83137695
3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 107309264
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
3-[4-[(4-chlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83134488
3-(4-heptoxy-2-methylphenyl)prop-2-yn-1-amine
CID 83134647
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-3-methylphenyl]ethanamine
CID 115957600
3-[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 83135199
4-[[4-(3-aminoprop-1-ynyl)-3-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 83137717
2-[(4-ethylphenoxy)methyl]-6-methoxypyridine
CID 64763644
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine
CID 112614202

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine (CID 83137702) is 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine is COc1cccc(COc2ccc(C#CCN)c(C)c2)n1.
What is the InChIKey of 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
The InChIKey is NMIODZZBRFDWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-11-16(9-8-14(13)5-4-10-18)21-12-15-6-3-7-17(19-15)20-2/h3,6-9,11H,10,12,18H2,1-2H3.
What are the key properties of 3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]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-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 83137702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).