2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide

C13H20N2O2 — CID 63366244

IUPAC2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide
SMILESCC[C@@H](N)c1ccccc1OC(C)C(=O)NC
InChIInChI=1S/C13H20N2O2/c1-4-11(14)10-7-5-6-8-12(10)17-9(2)13(16)15-3/h5-9,11H,4,14H2,1-3H3,(H,15,16)/t9?,11-/m1/s1
InChIKeyYCTFACZAOUSCJP-HCCKASOXSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds5

About 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide

2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide (PubChem CID 63366244) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide
PubChem CID63366244
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide
SMILESCC[C@@H](N)c1ccccc1OC(C)C(=O)NC
InChIInChI=1S/C13H20N2O2/c1-4-11(14)10-7-5-6-8-12(10)17-9(2)13(16)15-3/h5-9,11H,4,14H2,1-3H3,(H,15,16)/t9?,11-/m1/s1
InChIKeyYCTFACZAOUSCJP-HCCKASOXSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43116458
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
CID 63890939
N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
N-methyl-2-phenoxypropanamide
CID 4626974
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide (CID 63366244) is 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide is CC[C@@H](N)c1ccccc1OC(C)C(=O)NC.
What is the InChIKey of 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide?
The InChIKey is YCTFACZAOUSCJP-HCCKASOXSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-11(14)10-7-5-6-8-12(10)17-9(2)13(16)15-3/h5-9,11H,4,14H2,1-3H3,(H,15,16)/t9?,11-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide?
2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 63366244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).