2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide

C13H19ClN2O2 — CID 62074759

IUPAC2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
SMILESCCCNC(C)c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-3-6-16-9(2)11-7-10(14)4-5-12(11)18-8-13(15)17/h4-5,7,9,16H,3,6,8H2,1-2H3,(H2,15,17)
InChIKeyAWQCMOJMYMFBBP-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds7

About 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide

2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide (PubChem CID 62074759) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
PubChem CID62074759
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
SMILESCCCNC(C)c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-3-6-16-9(2)11-7-10(14)4-5-12(11)18-8-13(15)17/h4-5,7,9,16H,3,6,8H2,1-2H3,(H2,15,17)
InChIKeyAWQCMOJMYMFBBP-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
CID 55132194
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 62074581
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
CID 120716467
N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62074246
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide (CID 62074759) is 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide is CCCNC(C)c1cc(Cl)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide?
The InChIKey is AWQCMOJMYMFBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-6-16-9(2)11-7-10(14)4-5-12(11)18-8-13(15)17/h4-5,7,9,16H,3,6,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide?
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 62074759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).