2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

C15H24N2O2 — CID 43277159

IUPAC2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCNCc1ccccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)9-17-15(18)12(3)19-14-8-6-5-7-13(14)10-16-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyXKRROQZUYCPBFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds7

About 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 43277159) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID43277159
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCNCc1ccccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)9-17-15(18)12(3)19-14-8-6-5-7-13(14)10-16-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyXKRROQZUYCPBFI-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
CID 78931758
2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 60907094
N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63062222
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
N-(2-methylpropyl)-2-[(2-propan-2-yloxyphenyl)methylamino]acetamide
CID 115621831
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 114319148
2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide
CID 63062536
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 43277159) is 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is CNCc1ccccc1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is XKRROQZUYCPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-17-15(18)12(3)19-14-8-6-5-7-13(14)10-16-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43277159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).