2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine

C12H17FN2O — CID 117237369

IUPAC2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
SMILESNC(COc1cccc(F)c1)C1CCNC1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-3-11(6-10)16-8-12(14)9-4-5-15-7-9/h1-3,6,9,12,15H,4-5,7-8,14H2
InChIKeyVOKWZBDDEPFSRW-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.14
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine

2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine (PubChem CID 117237369) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
PubChem CID117237369
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
SMILESNC(COc1cccc(F)c1)C1CCNC1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-3-11(6-10)16-8-12(14)9-4-5-15-7-9/h1-3,6,9,12,15H,4-5,7-8,14H2
InChIKeyVOKWZBDDEPFSRW-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
2-(3-bromophenoxy)-1-piperidin-4-ylethanamine
CID 117238821
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
CID 66848319
3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
CID 66849048
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine?
The IUPAC name of 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine (CID 117237369) is 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine?
The canonical SMILES for 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine is NC(COc1cccc(F)c1)C1CCNC1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine?
The InChIKey is VOKWZBDDEPFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-2-1-3-11(6-10)16-8-12(14)9-4-5-15-7-9/h1-3,6,9,12,15H,4-5,7-8,14H2.
What are the key properties of 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine?
2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine has a molecular weight of 224.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 117237369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).