1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

C17H25FN2O2 — CID 110898141

IUPAC1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C17H25FN2O2/c18-15-3-1-2-14(10-15)11-20(16-4-5-16)13-17(21)12-19-6-8-22-9-7-19/h1-3,10,16-17,21H,4-9,11-13H2
InChIKeyJKZAYMMIBZIGJQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.48
Rot. Bonds7

About 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 110898141) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID110898141
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C17H25FN2O2/c18-15-3-1-2-14(10-15)11-20(16-4-5-16)13-17(21)12-19-6-8-22-9-7-19/h1-3,10,16-17,21H,4-9,11-13H2
InChIKeyJKZAYMMIBZIGJQ-UHFFFAOYSA-N
XLogP1.48
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110905244
1-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110885669
1-[3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116420
1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60910058
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 24714141
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 24714412
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
CID 110008215
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 3742716
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 110898141) is 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)CN(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is JKZAYMMIBZIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-15-3-1-2-14(10-15)11-20(16-4-5-16)13-17(21)12-19-6-8-22-9-7-19/h1-3,10,16-17,21H,4-9,11-13H2.
What are the key properties of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 308.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 110898141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).