2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide

C11H15ClN2O2 — CID 107715840

IUPAC2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1c(N)cccc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H15ClN2O2/c1-7(11(15)14(2)3)16-10-8(12)5-4-6-9(10)13/h4-7H,13H2,1-3H3
InChIKeyYMJQSVHEQDELIY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide

2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide (PubChem CID 107715840) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
PubChem CID107715840
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1c(N)cccc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H15ClN2O2/c1-7(11(15)14(2)3)16-10-8(12)5-4-6-9(10)13/h4-7H,13H2,1-3H3
InChIKeyYMJQSVHEQDELIY-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 115954792
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980
(E)-4-(2,6-dichlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 6157571
2-(2-amino-6-chlorophenoxy)propanenitrile
CID 107715942
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
2-(5-aminoquinolin-8-yl)oxy-N,N-dimethylpropanamide
CID 60865141
2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide
CID 61391928
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 9417245
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
CID 43516191
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43471727

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide (CID 107715840) is 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide is CC(Oc1c(N)cccc1Cl)C(=O)N(C)C.
What is the InChIKey of 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide?
The InChIKey is YMJQSVHEQDELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(11(15)14(2)3)16-10-8(12)5-4-6-9(10)13/h4-7H,13H2,1-3H3.
What are the key properties of 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide?
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 107715840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).