1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol

C19H21BrFNO3 — CID 138960645

IUPAC1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccccc1F)CN1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H21BrFNO3/c20-15-7-5-14(6-8-15)19-12-22(9-10-24-19)11-16(23)13-25-18-4-2-1-3-17(18)21/h1-8,16,19,23H,9-13H2
InChIKeyJEEVSCDLRKSATB-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.40
Rot. Bonds6

About 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol

1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 138960645) has the molecular formula C19H21BrFNO3 and a molecular weight of 410.28 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
PubChem CID138960645
Molecular FormulaC19H21BrFNO3
Molecular Weight410.28 g/mol
Exact Mass409.07
IUPAC Name1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccccc1F)CN1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H21BrFNO3/c20-15-7-5-14(6-8-15)19-12-22(9-10-24-19)11-16(23)13-25-18-4-2-1-3-17(18)21/h1-8,16,19,23H,9-13H2
InChIKeyJEEVSCDLRKSATB-UHFFFAOYSA-N
XLogP3.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
CID 138960683
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959090
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol
CID 138959998
(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
CID 100899686
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol (CID 138960645) is 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol is OC(COc1ccccc1F)CN1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is JEEVSCDLRKSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO3/c20-15-7-5-14(6-8-15)19-12-22(9-10-24-19)11-16(23)13-25-18-4-2-1-3-17(18)21/h1-8,16,19,23H,9-13H2.
What are the key properties of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol?
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 410.28 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 138960645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).