3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C11H23FN2O — CID 106617777

IUPAC3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCOCCN(CCCF)CC1CCCN1
InChIInChI=1S/C11H23FN2O/c1-15-9-8-14(7-3-5-12)10-11-4-2-6-13-11/h11,13H,2-10H2,1H3
InChIKeyUMFVBWATEKRMBY-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.05
Rot. Bonds8

About 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106617777) has the molecular formula C11H23FN2O and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106617777
Molecular FormulaC11H23FN2O
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Name3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCOCCN(CCCF)CC1CCCN1
InChIInChI=1S/C11H23FN2O/c1-15-9-8-14(7-3-5-12)10-11-4-2-6-13-11/h11,13H,2-10H2,1H3
InChIKeyUMFVBWATEKRMBY-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
4-[(2S,3S)-2-Methylpyrrolidin-3-yl]morpholine
CID 99868085
(S)-4-(pyrrolidin-2-ylmethyl)morpholine
CID 7141612
(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
4-(5-Methylpyrrolidin-3-yl)morpholine
CID 119030994
{[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl}(methyl)amine
CID 121552283
4-{[(2S)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}morpholine
CID 124052744
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
5-fluoro-1-(2-methoxyethyl)-N-propan-2-ylpiperidin-3-amine
CID 167492751

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106617777) is 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is COCCN(CCCF)CC1CCCN1.
What is the InChIKey of 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is UMFVBWATEKRMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O/c1-15-9-8-14(7-3-5-12)10-11-4-2-6-13-11/h11,13H,2-10H2,1H3.
What are the key properties of 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 218.32 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106617777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).