[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C17H26FN3O — CID 117492434

IUPAC[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FN3O/c1-20-11-13(10-19)8-17(20)14-2-3-15(16(18)9-14)12-21-4-6-22-7-5-21/h2-3,9,13,17H,4-8,10-12,19H2,1H3
InChIKeyWKKPPEJOQINXJD-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.61
Rot. Bonds4

About [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117492434) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117492434
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FN3O/c1-20-11-13(10-19)8-17(20)14-2-3-15(16(18)9-14)12-21-4-6-22-7-5-21/h2-3,9,13,17H,4-8,10-12,19H2,1H3
InChIKeyWKKPPEJOQINXJD-UHFFFAOYSA-N
XLogP1.61
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117492434) is [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc(CN2CCOCC2)c(F)c1.
What is the InChIKey of [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is WKKPPEJOQINXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-20-11-13(10-19)8-17(20)14-2-3-15(16(18)9-14)12-21-4-6-22-7-5-21/h2-3,9,13,17H,4-8,10-12,19H2,1H3.
What are the key properties of [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 307.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117492434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).