2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide

C13H19ClN2O2 — CID 113389817

IUPAC2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-16-13(17)9(3)18-12-6-5-10(8(2)15)7-11(12)14/h5-9H,4,15H2,1-3H3,(H,16,17)/t8-,9?/m0/s1
InChIKeyHKMSIJUEWMHLHU-IENPIDJESA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds5

About 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide

2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide (PubChem CID 113389817) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide
PubChem CID113389817
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-16-13(17)9(3)18-12-6-5-10(8(2)15)7-11(12)14/h5-9H,4,15H2,1-3H3,(H,16,17)/t8-,9?/m0/s1
InChIKeyHKMSIJUEWMHLHU-IENPIDJESA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
3-[3-chloro-4-[1-(ethylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid
CID 76914634
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-(2-chloro-4-ethylphenoxy)propanehydrazide
CID 54793011
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide (CID 113389817) is 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc([C@H](C)N)cc1Cl.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide?
The InChIKey is HKMSIJUEWMHLHU-IENPIDJESA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-16-13(17)9(3)18-12-6-5-10(8(2)15)7-11(12)14/h5-9H,4,15H2,1-3H3,(H,16,17)/t8-,9?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide?
2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide is sourced from PubChem (CID 113389817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).