2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide

C17H28N2O2 — CID 43122445

IUPAC2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1c(C)cc(CN)cc1C
InChIInChI=1S/C17H28N2O2/c1-5-6-7-8-19-17(20)14(4)21-16-12(2)9-15(11-18)10-13(16)3/h9-10,14H,5-8,11,18H2,1-4H3,(H,19,20)
InChIKeyLFYVPNYPHRWSIP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds8

About 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide

2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide (PubChem CID 43122445) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
PubChem CID43122445
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1c(C)cc(CN)cc1C
InChIInChI=1S/C17H28N2O2/c1-5-6-7-8-19-17(20)14(4)21-16-12(2)9-15(11-18)10-13(16)3/h9-10,14H,5-8,11,18H2,1-4H3,(H,19,20)
InChIKeyLFYVPNYPHRWSIP-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
CID 43122441
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
CID 60879224
N-butyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471896
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N-butylpropanamide
CID 43622242
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
CID 61389141
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
3-methyl-4-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 107673696
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide (CID 43122445) is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1c(C)cc(CN)cc1C.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide?
The InChIKey is LFYVPNYPHRWSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-7-8-19-17(20)14(4)21-16-12(2)9-15(11-18)10-13(16)3/h9-10,14H,5-8,11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide?
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide is sourced from PubChem (CID 43122445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).