1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol

C18H29FN2O2 — CID 110905312

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
SMILESCC1CN(CC(O)CN(C)CCc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C18H29FN2O2/c1-14-10-21(11-15(2)23-14)13-18(22)12-20(3)9-8-16-4-6-17(19)7-5-16/h4-7,14-15,18,22H,8-13H2,1-3H3
InChIKeyURKWGNREGRBXAJ-UHFFFAOYSA-N
MW324.44 g/mol
LogP1.77
Rot. Bonds7

About 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol (PubChem CID 110905312) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
PubChem CID110905312
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
SMILESCC1CN(CC(O)CN(C)CCc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C18H29FN2O2/c1-14-10-21(11-15(2)23-14)13-18(22)12-20(3)9-8-16-4-6-17(19)7-5-16/h4-7,14-15,18,22H,8-13H2,1-3H3
InChIKeyURKWGNREGRBXAJ-UHFFFAOYSA-N
XLogP1.77
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
CID 16807157
4-(2-Phenylethyl)morpholine
CID 411956
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152
3-(4-Benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 3811822
2-[[1-(2-Phenylethyl)-4-piperidinyl](propyl)amino]ethanol
CID 4371773
1-(2-Hydroxy-butyl)-1-methyl-4-phenyl-piperidinium
CID 15925842
1-(4-Benzylpiperidin-1-yl)-3-(methylamino)propan-2-ol
CID 43167849
2-[4-(2-Phenylethyl)piperazin-1-yl]ethan-1-ol
CID 783714
2,4-Dimethyl-9-(2-phenylethyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 23643977
3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54765508
2-Aminomethyl-4-(4-fluorobenzyl)morpholine
CID 10242735
US11649248, Example 112
CID 135332711

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol (CID 110905312) is 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol is CC1CN(CC(O)CN(C)CCc2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
The InChIKey is URKWGNREGRBXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-14-10-21(11-15(2)23-14)13-18(22)12-20(3)9-8-16-4-6-17(19)7-5-16/h4-7,14-15,18,22H,8-13H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol has a molecular weight of 324.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 110905312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).