2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide

C12H18N2O2 — CID 30118137

IUPAC2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccccc1[C@@H](C)N
InChIInChI=1S/C12H18N2O2/c1-3-14-12(15)8-16-11-7-5-4-6-10(11)9(2)13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyUZEBEDGUWHVQDX-SECBINFHSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide

2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide (PubChem CID 30118137) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
PubChem CID30118137
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccccc1[C@@H](C)N
InChIInChI=1S/C12H18N2O2/c1-3-14-12(15)8-16-11-7-5-4-6-10(11)9(2)13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyUZEBEDGUWHVQDX-SECBINFHSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide
CID 63367057
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930426
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 55190392
propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
CID 78936379
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide (CID 30118137) is 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide is CCNC(=O)COc1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide?
The InChIKey is UZEBEDGUWHVQDX-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14-12(15)8-16-11-7-5-4-6-10(11)9(2)13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide?
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 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-aminoethyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 30118137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).