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

C22H29ClFNO3 — CID 138959001

IUPAC1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
SMILESCCC(OCC(O)CN1CCOC(c2cccc(F)c2)C1)c1ccccc1.Cl
InChIInChI=1S/C22H28FNO3.ClH/c1-2-21(17-7-4-3-5-8-17)27-16-20(25)14-24-11-12-26-22(15-24)18-9-6-10-19(23)13-18;/h3-10,13,20-22,25H,2,11-12,14-16H2,1H3;1H
InChIKeyRPLHFRUWMATJLE-UHFFFAOYSA-N
MW409.93 g/mol
LogP4.15
Rot. Bonds8

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

1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride (PubChem CID 138959001) has the molecular formula C22H29ClFNO3 and a molecular weight of 409.93 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
PubChem CID138959001
Molecular FormulaC22H29ClFNO3
Molecular Weight409.93 g/mol
Exact Mass409.18
IUPAC Name1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
SMILESCCC(OCC(O)CN1CCOC(c2cccc(F)c2)C1)c1ccccc1.Cl
InChIInChI=1S/C22H28FNO3.ClH/c1-2-21(17-7-4-3-5-8-17)27-16-20(25)14-24-11-12-26-22(15-24)18-9-6-10-19(23)13-18;/h3-10,13,20-22,25H,2,11-12,14-16H2,1H3;1H
InChIKeyRPLHFRUWMATJLE-UHFFFAOYSA-N
XLogP4.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.93
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958979
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
CID 138960683
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
CID 7025229
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride (CID 138959001) is 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride is CCC(OCC(O)CN1CCOC(c2cccc(F)c2)C1)c1ccccc1.Cl.
What is the InChIKey of 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
The InChIKey is RPLHFRUWMATJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3.ClH/c1-2-21(17-7-4-3-5-8-17)27-16-20(25)14-24-11-12-26-22(15-24)18-9-6-10-19(23)13-18;/h3-10,13,20-22,25H,2,11-12,14-16H2,1H3;1H.
What are the key properties of 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride has a molecular weight of 409.93 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).