3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide

C16H26N2O2 — CID 43311867

IUPAC3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCCNCc1cc(C)c(OCC(C)C(N)=O)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-6-18-9-14-7-11(2)15(12(3)8-14)20-10-13(4)16(17)19/h7-8,13,18H,5-6,9-10H2,1-4H3,(H2,17,19)
InChIKeyRINPUDQXJWVHQW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds8

About 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide

3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide (PubChem CID 43311867) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
PubChem CID43311867
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCCNCc1cc(C)c(OCC(C)C(N)=O)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-6-18-9-14-7-11(2)15(12(3)8-14)20-10-13(4)16(17)19/h7-8,13,18H,5-6,9-10H2,1-4H3,(H2,17,19)
InChIKeyRINPUDQXJWVHQW-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
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

N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
3-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 107742264
1-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63928760
3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311897
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
3-[[2,6-dimethyl-4-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491559
N-[[4-(2-bromoprop-2-enoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 60879502

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide (CID 43311867) is 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide is CCCNCc1cc(C)c(OCC(C)C(N)=O)c(C)c1.
What is the InChIKey of 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
The InChIKey is RINPUDQXJWVHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-18-9-14-7-11(2)15(12(3)8-14)20-10-13(4)16(17)19/h7-8,13,18H,5-6,9-10H2,1-4H3,(H2,17,19).
What are the key properties of 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide is sourced from PubChem (CID 43311867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).