1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride

C21H27ClFNO3 — CID 138958917

IUPAC1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
SMILESCc1cccc(C)c1OCC(O)CN1CCOC(c2cccc(F)c2)C1.Cl
InChIInChI=1S/C21H26FNO3.ClH/c1-15-5-3-6-16(2)21(15)26-14-19(24)12-23-9-10-25-20(13-23)17-7-4-8-18(22)11-17;/h3-8,11,19-20,24H,9-10,12-14H2,1-2H3;1H
InChIKeyGCKBUEPXZMGNER-UHFFFAOYSA-N
MW395.90 g/mol
LogP3.68
Rot. Bonds6

About 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride

1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride (PubChem CID 138958917) has the molecular formula C21H27ClFNO3 and a molecular weight of 395.90 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
PubChem CID138958917
Molecular FormulaC21H27ClFNO3
Molecular Weight395.90 g/mol
Exact Mass395.17
IUPAC Name1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
SMILESCc1cccc(C)c1OCC(O)CN1CCOC(c2cccc(F)c2)C1.Cl
InChIInChI=1S/C21H26FNO3.ClH/c1-15-5-3-6-16(2)21(15)26-14-19(24)12-23-9-10-25-20(13-23)17-7-4-8-18(22)11-17;/h3-8,11,19-20,24H,9-10,12-14H2,1-2H3;1H
InChIKeyGCKBUEPXZMGNER-UHFFFAOYSA-N
XLogP3.68
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
CID 138959001
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958979
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-(3-methylphenoxy)propan-2-ol
CID 138959008
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
CID 86795528
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride (CID 138958917) is 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride is Cc1cccc(C)c1OCC(O)CN1CCOC(c2cccc(F)c2)C1.Cl.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride?
The InChIKey is GCKBUEPXZMGNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3.ClH/c1-15-5-3-6-16(2)21(15)26-14-19(24)12-23-9-10-25-20(13-23)17-7-4-8-18(22)11-17;/h3-8,11,19-20,24H,9-10,12-14H2,1-2H3;1H.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride?
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride has a molecular weight of 395.90 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 138958917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).