3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide

C14H22N2O2 — CID 112615431

IUPAC3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
SMILESCc1cccc(CC(C)N)c1OCC(C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-9-5-4-6-12(7-11(3)15)13(9)18-8-10(2)14(16)17/h4-6,10-11H,7-8,15H2,1-3H3,(H2,16,17)
InChIKeyCXURYIDMTMIUFF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.38
Rot. Bonds6

About 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide

3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide (PubChem CID 112615431) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
PubChem CID112615431
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
SMILESCc1cccc(CC(C)N)c1OCC(C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-9-5-4-6-12(7-11(3)15)13(9)18-8-10(2)14(16)17/h4-6,10-11H,7-8,15H2,1-3H3,(H2,16,17)
InChIKeyCXURYIDMTMIUFF-UHFFFAOYSA-N
XLogP1.38
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
CID 115958129
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777
2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 115958026
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79887691
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 115958124
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide (CID 112615431) is 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide is Cc1cccc(CC(C)N)c1OCC(C)C(N)=O.
What is the InChIKey of 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide?
The InChIKey is CXURYIDMTMIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-4-6-12(7-11(3)15)13(9)18-8-10(2)14(16)17/h4-6,10-11H,7-8,15H2,1-3H3,(H2,16,17).
What are the key properties of 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide?
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide is sourced from PubChem (CID 112615431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).