2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide

C14H21ClN2O2 — CID 114321561

IUPAC2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cccc(Cl)c1CCN
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17-14(18)10(3)19-13-6-4-5-12(15)11(13)7-8-16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyZUAGCDZRBYGXIR-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide

2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide (PubChem CID 114321561) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
PubChem CID114321561
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cccc(Cl)c1CCN
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17-14(18)10(3)19-13-6-4-5-12(15)11(13)7-8-16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyZUAGCDZRBYGXIR-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-aminoethyl)-3-chlorophenoxy]-N-ethylpropanamide
CID 113277086
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 114321631
2-chloro-6-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 114320340
2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 113277246
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
CID 54984073
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide (CID 114321561) is 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1cccc(Cl)c1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide?
The InChIKey is ZUAGCDZRBYGXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)17-14(18)10(3)19-13-6-4-5-12(15)11(13)7-8-16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide?
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide 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-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114321561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).