1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine

C14H22FN3O — CID 147633023

IUPAC1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(N)c(OCCF)c2)C1
InChIInChI=1S/C14H22FN3O/c1-17(2)12-5-7-18(10-12)11-3-4-13(16)14(9-11)19-8-6-15/h3-4,9,12H,5-8,10,16H2,1-2H3
InChIKeyGGBWUHACZGECPL-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine

1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 147633023) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID147633023
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(N)c(OCCF)c2)C1
InChIInChI=1S/C14H22FN3O/c1-17(2)12-5-7-18(10-12)11-3-4-13(16)14(9-11)19-8-6-15/h3-4,9,12H,5-8,10,16H2,1-2H3
InChIKeyGGBWUHACZGECPL-UHFFFAOYSA-N
XLogP1.76
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine (CID 147633023) is 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2ccc(N)c(OCCF)c2)C1.
What is the InChIKey of 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is GGBWUHACZGECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-17(2)12-5-7-18(10-12)11-3-4-13(16)14(9-11)19-8-6-15/h3-4,9,12H,5-8,10,16H2,1-2H3.
What are the key properties of 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine?
1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 267.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(2-fluoroethoxy)phenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 147633023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).