2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide

C15H24N2O2 — CID 112607249

IUPAC2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CN)c1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)9-17-15(18)12(4)19-14-11(3)6-5-7-13(14)8-16/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyGIKPIVIETIHEDK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.99
Rot. Bonds6

About 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide

2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 112607249) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
PubChem CID112607249
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CN)c1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)9-17-15(18)12(4)19-14-11(3)6-5-7-13(14)8-16/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyGIKPIVIETIHEDK-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 115958032
N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
CID 112612470
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112614872
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide (CID 112607249) is 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide is Cc1cccc(CN)c1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is GIKPIVIETIHEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)9-17-15(18)12(4)19-14-11(3)6-5-7-13(14)8-16/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide?
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 112607249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).