3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide

C13H20N2O3 — CID 78936627

IUPAC3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc([C@H](C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9(14)10-4-5-11(12(8-10)17-3)18-7-6-13(16)15-2/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyZDCLSAPYNOIQBV-VIFPVBQESA-N
MW252.31 g/mol
LogP1.23
Rot. Bonds6

About 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide

3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide (PubChem CID 78936627) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
PubChem CID78936627
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc([C@H](C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9(14)10-4-5-11(12(8-10)17-3)18-7-6-13(16)15-2/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyZDCLSAPYNOIQBV-VIFPVBQESA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
tert-butyl N-[2-[4-(1-aminoethyl)-2-methoxyphenoxy]ethyl]carbamate
CID 66552517
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
4-methoxy-3-[3-(methylamino)-3-oxopropoxy]benzoic acid
CID 62326859
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide?
The IUPAC name of 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide (CID 78936627) is 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc([C@H](C)N)cc1OC.
What is the InChIKey of 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide?
The InChIKey is ZDCLSAPYNOIQBV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(14)10-4-5-11(12(8-10)17-3)18-7-6-13(16)15-2/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide?
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide is sourced from PubChem (CID 78936627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).