2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide

C13H20N2O2 — CID 112609092

IUPAC2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
SMILESCCNCc1cccc(C)c1OC(C)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-15-8-11-7-5-6-9(2)12(11)17-10(3)13(14)16/h5-7,10,15H,4,8H2,1-3H3,(H2,14,16)
InChIKeySFKWBIQMZXBRMN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide

2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide (PubChem CID 112609092) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
PubChem CID112609092
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
SMILESCCNCc1cccc(C)c1OC(C)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-15-8-11-7-5-6-9(2)12(11)17-10(3)13(14)16/h5-7,10,15H,4,8H2,1-3H3,(H2,14,16)
InChIKeySFKWBIQMZXBRMN-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
N-cyclopropyl-2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 115952731
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
CID 112612470
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
N,N-diethyl-2-[2-methyl-6-(methylaminomethyl)phenoxy]propanamide
CID 115952158
N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115952747
2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-butylpropanamide
CID 61390210
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide (CID 112609092) is 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide is CCNCc1cccc(C)c1OC(C)C(N)=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide?
The InChIKey is SFKWBIQMZXBRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15-8-11-7-5-6-9(2)12(11)17-10(3)13(14)16/h5-7,10,15H,4,8H2,1-3H3,(H2,14,16).
What are the key properties of 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide?
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide is sourced from PubChem (CID 112609092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).