2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide

C14H21ClN2O2 — CID 114321885

IUPAC2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C14H21ClN2O2/c1-3-7-17-14(18)9-19-13-6-4-5-12(15)11(13)8-10(2)16/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyRBGFOFOKDAAPOL-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.13
Rot. Bonds7

About 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide

2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide (PubChem CID 114321885) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
PubChem CID114321885
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C14H21ClN2O2/c1-3-7-17-14(18)9-19-13-6-4-5-12(15)11(13)8-10(2)16/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyRBGFOFOKDAAPOL-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 114320622
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-butylacetamide
CID 114322009
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
CID 114320191
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide (CID 114321885) is 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide is CCCNC(=O)COc1cccc(Cl)c1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide?
The InChIKey is RBGFOFOKDAAPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-7-17-14(18)9-19-13-6-4-5-12(15)11(13)8-10(2)16/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide?
2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide is sourced from PubChem (CID 114321885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).