2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide

C13H20N2O2 — CID 30078683

IUPAC2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
SMILESCC[C@@H](N)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-12(14)10-5-7-11(8-6-10)17-9-13(16)15(2)3/h5-8,12H,4,9,14H2,1-3H3/t12-/m1/s1
InChIKeyLKOTYWWDCUWHTF-GFCCVEGCSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds5

About 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide

2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 30078683) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
PubChem CID30078683
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
SMILESCC[C@@H](N)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-12(14)10-5-7-11(8-6-10)17-9-13(16)15(2)3/h5-8,12H,4,9,14H2,1-3H3/t12-/m1/s1
InChIKeyLKOTYWWDCUWHTF-GFCCVEGCSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 54930931
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606
N,N-dimethyl-2-[4-[1-(propylamino)propyl]phenoxy]acetamide
CID 43280198
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
2-[2-amino-2-(4-ethoxyphenyl)ethoxy]acetamide
CID 61327412
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 116850305
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78937320
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide (CID 30078683) is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide is CC[C@@H](N)c1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is LKOTYWWDCUWHTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12(14)10-5-7-11(8-6-10)17-9-13(16)15(2)3/h5-8,12H,4,9,14H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide?
2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 30078683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).