2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide

C14H21ClN2O2 — CID 54929160

IUPAC2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C14H21ClN2O2/c1-4-17-14(18)10(3)19-13-6-5-12(15)8-11(13)7-9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyZPUNRJXAZCADPW-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide

2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide (PubChem CID 54929160) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
PubChem CID54929160
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C14H21ClN2O2/c1-4-17-14(18)10(3)19-13-6-5-12(15)8-11(13)7-9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyZPUNRJXAZCADPW-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54930401
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide
CID 113389817
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
CID 43278038
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methylpropanamide
CID 54929525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide (CID 54929160) is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?
The InChIKey is ZPUNRJXAZCADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-17-14(18)10(3)19-13-6-5-12(15)8-11(13)7-9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide is sourced from PubChem (CID 54929160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).