3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide

C17H22N2O2 — CID 78930722

IUPAC3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
SMILESC[C@@H](N)c1ccc2ccccc2c1OCCC(=O)N(C)C
InChIInChI=1S/C17H22N2O2/c1-12(18)14-9-8-13-6-4-5-7-15(13)17(14)21-11-10-16(20)19(2)3/h4-9,12H,10-11,18H2,1-3H3/t12-/m1/s1
InChIKeyGCFNEPMGNVJQJO-GFCCVEGCSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds5

About 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide

3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide (PubChem CID 78930722) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
PubChem CID78930722
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
SMILESC[C@@H](N)c1ccc2ccccc2c1OCCC(=O)N(C)C
InChIInChI=1S/C17H22N2O2/c1-12(18)14-9-8-13-6-4-5-7-15(13)17(14)21-11-10-16(20)19(2)3/h4-9,12H,10-11,18H2,1-3H3/t12-/m1/s1
InChIKeyGCFNEPMGNVJQJO-GFCCVEGCSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
CID 60889205
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
CID 104863269
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide (CID 78930722) is 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide is C[C@@H](N)c1ccc2ccccc2c1OCCC(=O)N(C)C.
What is the InChIKey of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
The InChIKey is GCFNEPMGNVJQJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(18)14-9-8-13-6-4-5-7-15(13)17(14)21-11-10-16(20)19(2)3/h4-9,12H,10-11,18H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide is sourced from PubChem (CID 78930722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).