1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol

C16H25FN2O2 — CID 110903447

IUPAC1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CCc1ccc(F)cc1)CC(O)CN1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-18(7-6-14-2-4-15(17)5-3-14)12-16(20)13-19-8-10-21-11-9-19/h2-5,16,20H,6-13H2,1H3
InChIKeyHPMNBTFEDDTZMZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.99
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 110903447) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID110903447
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CCc1ccc(F)cc1)CC(O)CN1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-18(7-6-14-2-4-15(17)5-3-14)12-16(20)13-19-8-10-21-11-9-19/h2-5,16,20H,6-13H2,1H3
InChIKeyHPMNBTFEDDTZMZ-UHFFFAOYSA-N
XLogP0.99
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.99
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-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 110903447) is 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(CCc1ccc(F)cc1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is HPMNBTFEDDTZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-18(7-6-14-2-4-15(17)5-3-14)12-16(20)13-19-8-10-21-11-9-19/h2-5,16,20H,6-13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 296.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 110903447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).