2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide

C15H24N2O2 — CID 107655685

IUPAC2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(CN)ccc1C
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)12(4)19-14-9-13(10-16)8-7-11(14)3/h7-9,12H,5-6,10,16H2,1-4H3
InChIKeyWJZLKLQUTXCNCO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds6

About 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide

2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide (PubChem CID 107655685) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
PubChem CID107655685
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(CN)ccc1C
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)12(4)19-14-9-13(10-16)8-7-11(14)3/h7-9,12H,5-6,10,16H2,1-4H3
InChIKeyWJZLKLQUTXCNCO-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide
CID 46997752
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide
CID 43122406
2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
CID 107655743
2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
CID 116540885
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
CID 63598648

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide (CID 107655685) is 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1cc(CN)ccc1C.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide?
The InChIKey is WJZLKLQUTXCNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)12(4)19-14-9-13(10-16)8-7-11(14)3/h7-9,12H,5-6,10,16H2,1-4H3.
What are the key properties of 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide?
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 107655685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).