2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide

C15H20N2O2 — CID 60879224

IUPAC2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(C)cc(CN)cc1C
InChIInChI=1S/C15H20N2O2/c1-5-6-17-15(18)12(4)19-14-10(2)7-13(9-16)8-11(14)3/h1,7-8,12H,6,9,16H2,2-4H3,(H,17,18)
InChIKeyCCEJTQFIIHFHOQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide

2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide (PubChem CID 60879224) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
PubChem CID60879224
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(C)cc(CN)cc1C
InChIInChI=1S/C15H20N2O2/c1-5-6-17-15(18)12(4)19-14-10(2)7-13(9-16)8-11(14)3/h1,7-8,12H,6,9,16H2,2-4H3,(H,17,18)
InChIKeyCCEJTQFIIHFHOQ-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
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-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
CID 43122441
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60878492
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 107738224
2-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60906103
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452
2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43515928
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylacetamide
CID 54931313
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43276640
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide (CID 60879224) is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1c(C)cc(CN)cc1C.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is CCEJTQFIIHFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-6-17-15(18)12(4)19-14-10(2)7-13(9-16)8-11(14)3/h1,7-8,12H,6,9,16H2,2-4H3,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide?
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60879224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).