N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

C10H21FN2O — CID 106617579

IUPACN-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(CCF)CC1CCCN1
InChIInChI=1S/C10H21FN2O/c1-14-8-7-13(6-4-11)9-10-3-2-5-12-10/h10,12H,2-9H2,1H3
InChIKeyTZVBQKWSOZYGDZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.66
Rot. Bonds7

About N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106617579) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106617579
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC NameN-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(CCF)CC1CCCN1
InChIInChI=1S/C10H21FN2O/c1-14-8-7-13(6-4-11)9-10-3-2-5-12-10/h10,12H,2-9H2,1H3
InChIKeyTZVBQKWSOZYGDZ-UHFFFAOYSA-N
XLogP0.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106617579) is N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(CCF)CC1CCCN1.
What is the InChIKey of N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is TZVBQKWSOZYGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-14-8-7-13(6-4-11)9-10-3-2-5-12-10/h10,12H,2-9H2,1H3.
What are the key properties of N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 204.29 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106617579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).