1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine

C14H23N3O — CID 63166050

IUPAC1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCOc2ccc(N)cc2)C1
InChIInChI=1S/C14H23N3O/c1-16(2)13-7-8-17(11-13)9-10-18-14-5-3-12(15)4-6-14/h3-6,13H,7-11,15H2,1-2H3
InChIKeyZQRRQTWNNKXLEZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.28
Rot. Bonds5

About 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166050) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166050
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCOc2ccc(N)cc2)C1
InChIInChI=1S/C14H23N3O/c1-16(2)13-7-8-17(11-13)9-10-18-14-5-3-12(15)4-6-14/h3-6,13H,7-11,15H2,1-2H3
InChIKeyZQRRQTWNNKXLEZ-UHFFFAOYSA-N
XLogP1.28
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]boronic acid
CID 63164732
1-(4-aminophenoxy)-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 63166051
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]acetonitrile
CID 43586007
(3S)-1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine;benzyl N-[2-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]ethyl]carbamate
CID 162059553
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzenecarbothioamide
CID 63164009
3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]benzonitrile
CID 63164400
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 170113334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166050) is 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CCOc2ccc(N)cc2)C1.
What is the InChIKey of 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ZQRRQTWNNKXLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)13-7-8-17(11-13)9-10-18-14-5-3-12(15)4-6-14/h3-6,13H,7-11,15H2,1-2H3.
What are the key properties of 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).