2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide

C14H18N2O2 — CID 112608234

IUPAC2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(C)cccc1CNC
InChIInChI=1S/C14H18N2O2/c1-4-8-16-13(17)10-18-14-11(2)6-5-7-12(14)9-15-3/h1,5-7,15H,8-10H2,2-3H3,(H,16,17)
InChIKeyOMXUVLPOPDKCRB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.84
Rot. Bonds6

About 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide

2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide (PubChem CID 112608234) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
PubChem CID112608234
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(C)cccc1CNC
InChIInChI=1S/C14H18N2O2/c1-4-8-16-13(17)10-18-14-11(2)6-5-7-12(14)9-15-3/h1,5-7,15H,8-10H2,2-3H3,(H,16,17)
InChIKeyOMXUVLPOPDKCRB-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115954513
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115955257
2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 79891340
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608703
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-prop-2-ynylacetamide
CID 112620979

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide (CID 112608234) is 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1c(C)cccc1CNC.
What is the InChIKey of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
The InChIKey is OMXUVLPOPDKCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-8-16-13(17)10-18-14-11(2)6-5-7-12(14)9-15-3/h1,5-7,15H,8-10H2,2-3H3,(H,16,17).
What are the key properties of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide has a molecular weight of 246.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 112608234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).