2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide

C15H24N2O2 — CID 63322427

IUPAC2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C)cc1CN
InChIInChI=1S/C15H24N2O2/c1-4-5-8-17-15(18)12(3)19-14-7-6-11(2)9-13(14)10-16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18)
InChIKeyATKCVMZWAKZCFR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds7

About 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide

2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide (PubChem CID 63322427) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
PubChem CID63322427
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C)cc1CN
InChIInChI=1S/C15H24N2O2/c1-4-5-8-17-15(18)12(3)19-14-7-6-11(2)9-13(14)10-16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18)
InChIKeyATKCVMZWAKZCFR-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
4-methyl-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 61379609
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
CID 63326228
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79157524
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
CID 61389141
2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
CID 115679511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide (CID 63322427) is 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide is CCCCNC(=O)C(C)Oc1ccc(C)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide?
The InChIKey is ATKCVMZWAKZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-8-17-15(18)12(3)19-14-7-6-11(2)9-13(14)10-16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide?
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide is sourced from PubChem (CID 63322427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).