4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol

C19H23FN2O2 — CID 120962035

IUPAC4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O2/c20-18-7-2-1-5-15(18)13-24-17-6-3-4-14(8-17)9-21-10-16-11-22-12-19(16)23/h1-8,16,19,21-23H,9-13H2
InChIKeyNMYLNLISNPBGNN-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.07
Rot. Bonds7

About 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol

4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962035) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962035
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O2/c20-18-7-2-1-5-15(18)13-24-17-6-3-4-14(8-17)9-21-10-16-11-22-12-19(16)23/h1-8,16,19,21-23H,9-13H2
InChIKeyNMYLNLISNPBGNN-UHFFFAOYSA-N
XLogP2.07
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
1-(1-ethylpyrrolidin-2-yl)-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 17213818
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628113
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid
CID 4720686
1-(azetidin-3-yl)-N-[[3-[(2-bromo-3-pyridinyl)methoxy]phenyl]methyl]methanamine
CID 135164649
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962763
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962314

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol (CID 120962035) is 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is NMYLNLISNPBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-18-7-2-1-5-15(18)13-24-17-6-3-4-14(8-17)9-21-10-16-11-22-12-19(16)23/h1-8,16,19,21-23H,9-13H2.
What are the key properties of 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol?
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 330.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).