3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide

C13H20N2O2 — CID 63367057

IUPAC3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)8-9-17-12-7-5-4-6-11(12)10(2)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyFDGNRLLMIRBVGS-SNVBAGLBSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide

3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide (PubChem CID 63367057) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide
PubChem CID63367057
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)8-9-17-12-7-5-4-6-11(12)10(2)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyFDGNRLLMIRBVGS-SNVBAGLBSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
3-(2-carbamothioylphenoxy)-N-ethylpropanamide
CID 62324611
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
CID 78931458
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide (CID 63367057) is 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1ccccc1[C@@H](C)N.
What is the InChIKey of 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide?
The InChIKey is FDGNRLLMIRBVGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-13(16)8-9-17-12-7-5-4-6-11(12)10(2)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide?
3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 63367057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).