1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine

C12H16BrFN2O — CID 120966058

IUPAC1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCOc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C12H16BrFN2O/c13-9-5-10(14)7-12(6-9)17-4-3-16-2-1-11(15)8-16/h5-7,11H,1-4,8,15H2
InChIKeySINPCKFUHFPQFJ-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine

1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine (PubChem CID 120966058) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
PubChem CID120966058
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCOc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C12H16BrFN2O/c13-9-5-10(14)7-12(6-9)17-4-3-16-2-1-11(15)8-16/h5-7,11H,1-4,8,15H2
InChIKeySINPCKFUHFPQFJ-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120966074
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 119039460
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120966208
1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966166
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241
2-[2-(3-bromo-5-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120966845
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidine-2,5-dione
CID 99824963
1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
CID 80964955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine (CID 120966058) is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine is NC1CCN(CCOc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is SINPCKFUHFPQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c13-9-5-10(14)7-12(6-9)17-4-3-16-2-1-11(15)8-16/h5-7,11H,1-4,8,15H2.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine?
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 303.17 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 120966058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).