4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol

C14H21FN2O — CID 120962763

IUPAC4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCCc1cccc(F)c1CNCC1CNCC1O
InChIInChI=1S/C14H21FN2O/c1-2-10-4-3-5-13(15)12(10)8-16-6-11-7-17-9-14(11)18/h3-5,11,14,16-18H,2,6-9H2,1H3
InChIKeyMDGCMIQXWLPETD-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.06
Rot. Bonds5

About 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol

4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962763) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962763
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCCc1cccc(F)c1CNCC1CNCC1O
InChIInChI=1S/C14H21FN2O/c1-2-10-4-3-5-13(15)12(10)8-16-6-11-7-17-9-14(11)18/h3-5,11,14,16-18H,2,6-9H2,1H3
InChIKeyMDGCMIQXWLPETD-UHFFFAOYSA-N
XLogP1.06
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961983
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120962035
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962314
4-[[(2-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962257
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 120945699

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol (CID 120962763) is 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol is CCc1cccc(F)c1CNCC1CNCC1O.
What is the InChIKey of 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is MDGCMIQXWLPETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-10-4-3-5-13(15)12(10)8-16-6-11-7-17-9-14(11)18/h3-5,11,14,16-18H,2,6-9H2,1H3.
What are the key properties of 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 252.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).