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

C14H19ClN2O2 — CID 54929439

IUPAC2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
SMILESCC(N)Cc1cc(Cl)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O2/c1-9(16)6-10-7-11(15)2-5-13(10)19-8-14(18)17-12-3-4-12/h2,5,7,9,12H,3-4,6,8,16H2,1H3,(H,17,18)
InChIKeyOAZKMDUQFQGPFG-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.89
Rot. Bonds6

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

2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide (PubChem CID 54929439) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
PubChem CID54929439
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
SMILESCC(N)Cc1cc(Cl)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O2/c1-9(16)6-10-7-11(15)2-5-13(10)19-8-14(18)17-12-3-4-12/h2,5,7,9,12H,3-4,6,8,16H2,1H3,(H,17,18)
InChIKeyOAZKMDUQFQGPFG-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-cyclopropylacetamide
CID 60906462
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
2-[5-(2-aminopropyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908147
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
CID 61485901
2-[4-(2-aminopropyl)-2-ethoxyphenoxy]-N-cyclopropylacetamide
CID 60907117
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63099859
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561064
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide
CID 107739745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide (CID 54929439) is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide is CC(N)Cc1cc(Cl)ccc1OCC(=O)NC1CC1.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide?
The InChIKey is OAZKMDUQFQGPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(16)6-10-7-11(15)2-5-13(10)19-8-14(18)17-12-3-4-12/h2,5,7,9,12H,3-4,6,8,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide?
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide has a molecular weight of 282.77 g/mol, XLogP of 1.89, 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-cyclopropylacetamide is sourced from PubChem (CID 54929439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).