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

C15H20N2O2 — CID 112608452

IUPAC2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(C)cccc1CNC
InChIInChI=1S/C15H20N2O2/c1-5-9-17-15(18)12(3)19-14-11(2)7-6-8-13(14)10-16-4/h1,6-8,12,16H,9-10H2,2-4H3,(H,17,18)
InChIKeyZAYYAUCPCNWACZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.23
Rot. Bonds6

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

2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 112608452) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
PubChem CID112608452
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(C)cccc1CNC
InChIInChI=1S/C15H20N2O2/c1-5-9-17-15(18)12(3)19-14-11(2)7-6-8-13(14)10-16-4/h1,6-8,12,16H,9-10H2,2-4H3,(H,17,18)
InChIKeyZAYYAUCPCNWACZ-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.23
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-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608703
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
N,N-diethyl-2-[2-methyl-6-(methylaminomethyl)phenoxy]propanamide
CID 115952158
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-[2-(methylaminomethyl)-4-nitrophenoxy]-N-prop-2-ynylpropanamide
CID 60887470
1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608407
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
CID 60879224
2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 43504220
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 112607249
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide (CID 112608452) is 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1c(C)cccc1CNC.
What is the InChIKey of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is ZAYYAUCPCNWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-9-17-15(18)12(3)19-14-11(2)7-6-8-13(14)10-16-4/h1,6-8,12,16H,9-10H2,2-4H3,(H,17,18).
What are the key properties of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.23, 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-ynylpropanamide is sourced from PubChem (CID 112608452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).