2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide

C11H15FN2O2 — CID 130277045

IUPAC2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(N)c(OCF)c1
InChIInChI=1S/C11H15FN2O2/c1-14(2)11(15)6-8-3-4-9(13)10(5-8)16-7-12/h3-5H,6-7,13H2,1-2H3
InChIKeyUSVBGNCVKHBUBO-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.21
Rot. Bonds4

About 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide

2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide (PubChem CID 130277045) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
PubChem CID130277045
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(N)c(OCF)c1
InChIInChI=1S/C11H15FN2O2/c1-14(2)11(15)6-8-3-4-9(13)10(5-8)16-7-12/h3-5H,6-7,13H2,1-2H3
InChIKeyUSVBGNCVKHBUBO-UHFFFAOYSA-N
XLogP1.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.21
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-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide
CID 129058955
2-(fluoromethoxy)-4-methylaniline
CID 123529275
methyl 4-amino-3-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 43380196
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
CID 63670160
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide
CID 90332895
2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130275786

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide (CID 130277045) is 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(N)c(OCF)c1.
What is the InChIKey of 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide?
The InChIKey is USVBGNCVKHBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-14(2)11(15)6-8-3-4-9(13)10(5-8)16-7-12/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide?
2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide has a molecular weight of 226.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 130277045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).