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

C19H22BrClFNO3 — CID 138959987

IUPAC1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1F)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H21BrFNO3.ClH/c20-15-5-3-4-14(10-15)19-12-22(8-9-24-19)11-16(23)13-25-18-7-2-1-6-17(18)21;/h1-7,10,16,19,23H,8-9,11-13H2;1H
InChIKeySCPOGPIRPLBUIJ-UHFFFAOYSA-N
MW446.74 g/mol
LogP3.82
Rot. Bonds6

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

1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride (PubChem CID 138959987) has the molecular formula C19H22BrClFNO3 and a molecular weight of 446.74 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
PubChem CID138959987
Molecular FormulaC19H22BrClFNO3
Molecular Weight446.74 g/mol
Exact Mass445.05
IUPAC Name1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1F)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H21BrFNO3.ClH/c20-15-5-3-4-14(10-15)19-12-22(8-9-24-19)11-16(23)13-25-18-7-2-1-6-17(18)21;/h1-7,10,16,19,23H,8-9,11-13H2;1H
InChIKeySCPOGPIRPLBUIJ-UHFFFAOYSA-N
XLogP3.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 138960645
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol
CID 138959998
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
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-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959090
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958979
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride (CID 138959987) is 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride is Cl.OC(COc1ccccc1F)CN1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride?
The InChIKey is SCPOGPIRPLBUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO3.ClH/c20-15-5-3-4-14(10-15)19-12-22(8-9-24-19)11-16(23)13-25-18-7-2-1-6-17(18)21;/h1-7,10,16,19,23H,8-9,11-13H2;1H.
What are the key properties of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride?
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride has a molecular weight of 446.74 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).