3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide

C11H15ClN2O2 — CID 47002615

IUPAC3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(2)11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyIAIBRLYLERAELR-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.78
Rot. Bonds4

About 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide

3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide (PubChem CID 47002615) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide
PubChem CID47002615
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(2)11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyIAIBRLYLERAELR-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

methyl 4-(4-amino-2-chlorophenoxy)butanoate
CID 43377677
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
3-chloro-4-nonoxyaniline
CID 43129005
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81181799
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587104
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
3-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 62098307
3-(4-aminonaphthalen-1-yl)oxy-N,N-dimethylpropanamide
CID 63691333
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide (CID 47002615) is 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide is CN(C)C(=O)CCOc1ccc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide?
The InChIKey is IAIBRLYLERAELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)11(15)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide?
3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 47002615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).