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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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).