2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide

C12H18N2O2 — CID 43116403

IUPAC2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc(C(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-8(13)10-5-4-6-11(7-10)16-9(2)12(15)14-3/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyHJSFYMFBCRXQHG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds4

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

2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide (PubChem CID 43116403) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
PubChem CID43116403
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc(C(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-8(13)10-5-4-6-11(7-10)16-9(2)12(15)14-3/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyHJSFYMFBCRXQHG-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
CID 63367394
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
N-methyl-2-phenoxypropanamide
CID 4626974
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
CID 107718925
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide (CID 43116403) is 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1cccc(C(C)N)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide?
The InChIKey is HJSFYMFBCRXQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(13)10-5-4-6-11(7-10)16-9(2)12(15)14-3/h4-9H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide?
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 43116403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).