3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol

C17H25FN2O2 — CID 70711050

IUPAC3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCC2(c3cccc(F)c3)CCOCC2)CCNC1
InChIInChI=1S/C17H25FN2O2/c18-15-3-1-2-14(10-15)16(5-8-22-9-6-16)11-20-13-17(21)4-7-19-12-17/h1-3,10,19-21H,4-9,11-13H2
InChIKeyQLHJLAAJEONKAW-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.19
Rot. Bonds5

About 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol

3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 70711050) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID70711050
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCC2(c3cccc(F)c3)CCOCC2)CCNC1
InChIInChI=1S/C17H25FN2O2/c18-15-3-1-2-14(10-15)16(5-8-22-9-6-16)11-20-13-17(21)4-7-19-12-17/h1-3,10,19-21H,4-9,11-13H2
InChIKeyQLHJLAAJEONKAW-UHFFFAOYSA-N
XLogP1.19
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol
CID 105464057
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
CID 56911914
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]benzonitrile
CID 47627698
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide
CID 56913916
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol (CID 70711050) is 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol is OC1(CNCC2(c3cccc(F)c3)CCOCC2)CCNC1.
What is the InChIKey of 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is QLHJLAAJEONKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-15-3-1-2-14(10-15)16(5-8-22-9-6-16)11-20-13-17(21)4-7-19-12-17/h1-3,10,19-21H,4-9,11-13H2.
What are the key properties of 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol?
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 308.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70711050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).