4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol

C14H17FN2O2 — CID 120963033

IUPAC4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FN2O2/c15-11-1-2-14-9(3-11)4-12(19-14)7-16-5-10-6-17-8-13(10)18/h1-4,10,13,16-18H,5-8H2
InChIKeyJGBAVCCWFYDHJJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.24
Rot. Bonds4

About 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol

4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120963033) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120963033
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FN2O2/c15-11-1-2-14-9(3-11)4-12(19-14)7-16-5-10-6-17-8-13(10)18/h1-4,10,13,16-18H,5-8H2
InChIKeyJGBAVCCWFYDHJJ-UHFFFAOYSA-N
XLogP1.24
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579350
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol
CID 110019175
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 111579089
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120944376
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
4-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961800
(3S,4R)-1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769834
ethyl 5-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]furan-2-carboxylate
CID 120962633

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120963033) is 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1cc2cc(F)ccc2o1.
What is the InChIKey of 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is JGBAVCCWFYDHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-1-2-14-9(3-11)4-12(19-14)7-16-5-10-6-17-8-13(10)18/h1-4,10,13,16-18H,5-8H2.
What are the key properties of 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 264.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120963033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).