3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide

C15H24N2O2 — CID 62628251

IUPAC3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(N)Cc1cccc(OCCC(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-15(18)7-8-19-14-6-4-5-13(10-14)9-12(3)16/h4-6,10-12H,7-9,16H2,1-3H3,(H,17,18)
InChIKeyFZPLXVMCJLIOOE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds7

About 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide

3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 62628251) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID62628251
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(N)Cc1cccc(OCCC(=O)NC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-15(18)7-8-19-14-6-4-5-13(10-14)9-12(3)16/h4-6,10-12H,7-9,16H2,1-3H3,(H,17,18)
InChIKeyFZPLXVMCJLIOOE-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
CID 115958129
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486419

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide (CID 62628251) is 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide is CC(N)Cc1cccc(OCCC(=O)NC(C)C)c1.
What is the InChIKey of 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is FZPLXVMCJLIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-15(18)7-8-19-14-6-4-5-13(10-14)9-12(3)16/h4-6,10-12H,7-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide?
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62628251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).