(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine

C17H17BrFNO2 — CID 68546079

IUPAC(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
SMILESFc1ccc([C@H](Oc2ccccc2Br)[C@H]2CNCCO2)cc1
InChIInChI=1S/C17H17BrFNO2/c18-14-3-1-2-4-15(14)22-17(16-11-20-9-10-21-16)12-5-7-13(19)8-6-12/h1-8,16-17,20H,9-11H2/t16-,17+/m1/s1
InChIKeyFDRGUGVUOYXMSV-SJORKVTESA-N
MW366.23 g/mol
LogP3.70
Rot. Bonds4

About (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine

(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine (PubChem CID 68546079) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
PubChem CID68546079
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
SMILESFc1ccc([C@H](Oc2ccccc2Br)[C@H]2CNCCO2)cc1
InChIInChI=1S/C17H17BrFNO2/c18-14-3-1-2-4-15(14)22-17(16-11-20-9-10-21-16)12-5-7-13(19)8-6-12/h1-8,16-17,20H,9-11H2/t16-,17+/m1/s1
InChIKeyFDRGUGVUOYXMSV-SJORKVTESA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(2-bromo-4-chlorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 68597861
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
CID 68544887
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 68542186
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine?
The IUPAC name of (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine (CID 68546079) is (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine?
The canonical SMILES for (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine is Fc1ccc([C@H](Oc2ccccc2Br)[C@H]2CNCCO2)cc1.
What is the InChIKey of (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine?
The InChIKey is FDRGUGVUOYXMSV-SJORKVTESA-N. The full InChI is InChI=1S/C17H17BrFNO2/c18-14-3-1-2-4-15(14)22-17(16-11-20-9-10-21-16)12-5-7-13(19)8-6-12/h1-8,16-17,20H,9-11H2/t16-,17+/m1/s1.
What are the key properties of (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine?
(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine has a molecular weight of 366.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 68546079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).