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

C15H23FN2O2 — CID 60910058

IUPAC1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNCCc1cccc(F)c1)CN1CCOCC1
InChIInChI=1S/C15H23FN2O2/c16-14-3-1-2-13(10-14)4-5-17-11-15(19)12-18-6-8-20-9-7-18/h1-3,10,15,17,19H,4-9,11-12H2
InChIKeyLXUGQJVATRKIEU-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.65
Rot. Bonds7

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

1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 60910058) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID60910058
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNCCc1cccc(F)c1)CN1CCOCC1
InChIInChI=1S/C15H23FN2O2/c16-14-3-1-2-13(10-14)4-5-17-11-15(19)12-18-6-8-20-9-7-18/h1-3,10,15,17,19H,4-9,11-12H2
InChIKeyLXUGQJVATRKIEU-UHFFFAOYSA-N
XLogP0.65
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 8006726
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
CID 60695641
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 110898141
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 167011971
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111035440
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
CID 60908570
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol (CID 60910058) is 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol is OC(CNCCc1cccc(F)c1)CN1CCOCC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is LXUGQJVATRKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c16-14-3-1-2-13(10-14)4-5-17-11-15(19)12-18-6-8-20-9-7-18/h1-3,10,15,17,19H,4-9,11-12H2.
What are the key properties of 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol?
1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 282.36 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 60910058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).