2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide

C16H20N2O2 — CID 63368477

IUPAC2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
SMILESC[C@H](N)c1ccc2ccccc2c1OCC(=O)N(C)C
InChIInChI=1S/C16H20N2O2/c1-11(17)13-9-8-12-6-4-5-7-14(12)16(13)20-10-15(19)18(2)3/h4-9,11H,10,17H2,1-3H3/t11-/m0/s1
InChIKeySEKQXSMZIOVROP-NSHDSACASA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds4

About 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide

2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide (PubChem CID 63368477) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
PubChem CID63368477
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
SMILESC[C@H](N)c1ccc2ccccc2c1OCC(=O)N(C)C
InChIInChI=1S/C16H20N2O2/c1-11(17)13-9-8-12-6-4-5-7-14(12)16(13)20-10-15(19)18(2)3/h4-9,11H,10,17H2,1-3H3/t11-/m0/s1
InChIKeySEKQXSMZIOVROP-NSHDSACASA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63368452
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N-cyclopropylacetamide
CID 63368493
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
(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-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate
CID 60889401

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide (CID 63368477) is 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide is C[C@H](N)c1ccc2ccccc2c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide?
The InChIKey is SEKQXSMZIOVROP-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(17)13-9-8-12-6-4-5-7-14(12)16(13)20-10-15(19)18(2)3/h4-9,11H,10,17H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide?
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 63368477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).