4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine

C15H20BrFN2O — CID 63170825

IUPAC4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine
SMILESFc1cc(Br)ccc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H20BrFN2O/c16-13-2-1-12(15(17)9-13)10-18-4-3-14(11-18)19-5-7-20-8-6-19/h1-2,9,14H,3-8,10-11H2
InChIKeyHSTLIOLAGKMKTM-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.49
Rot. Bonds3

About 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine

4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine (PubChem CID 63170825) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine
PubChem CID63170825
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine
SMILESFc1cc(Br)ccc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H20BrFN2O/c16-13-2-1-12(15(17)9-13)10-18-4-3-14(11-18)19-5-7-20-8-6-19/h1-2,9,14H,3-8,10-11H2
InChIKeyHSTLIOLAGKMKTM-UHFFFAOYSA-N
XLogP2.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromobenzyl)morpholine
CID 783503
2-[4-[(4-Bromophenyl)methyl]piperazin-1-yl]ethanol
CID 768218
4-(4-Bromo-2-fluorobenzyl)morpholine
CID 21914503
4-(3-Bromo-4-fluorobenzyl)morpholine
CID 782859
3-[(3-Bromo-4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
CID 72111361
4-(1-(4-Bromobenzyl)piperidin-4-yl)morpholine
CID 806418
2-[4-[(3-Bromo-4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 767660
2-{2-[4-(3-Bromo-4-fluorobenzyl)-1-piperazinyl]ethoxy}ethanol
CID 28434132
4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine
CID 59079684
2-(4-(1-(4-Bromophenyl)ethyl)piperazin-1-yl)ethanol
CID 56788563
2-[2-[4-[(4-Bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 2227510
4-(3-Bromo-4-fluorobenzyl)-2,6-dimethylmorpholine
CID 23736353

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine (CID 63170825) is 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine is Fc1cc(Br)ccc1CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine?
The InChIKey is HSTLIOLAGKMKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c16-13-2-1-12(15(17)9-13)10-18-4-3-14(11-18)19-5-7-20-8-6-19/h1-2,9,14H,3-8,10-11H2.
What are the key properties of 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine?
4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine has a molecular weight of 343.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 63170825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).