[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine

C16H23FN2O — CID 117446543

IUPAC[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C16H23FN2O/c1-19-9-12(8-18)6-15(19)14-7-13(17)4-5-16(14)20-10-11-2-3-11/h4-5,7,11-12,15H,2-3,6,8-10,18H2,1H3
InChIKeyHGVPEOXMOVJISO-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.57
Rot. Bonds5

About [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117446543) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117446543
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C16H23FN2O/c1-19-9-12(8-18)6-15(19)14-7-13(17)4-5-16(14)20-10-11-2-3-11/h4-5,7,11-12,15H,2-3,6,8-10,18H2,1H3
InChIKeyHGVPEOXMOVJISO-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117446543) is [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cc(F)ccc1OCC1CC1.
What is the InChIKey of [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is HGVPEOXMOVJISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19-9-12(8-18)6-15(19)14-7-13(17)4-5-16(14)20-10-11-2-3-11/h4-5,7,11-12,15H,2-3,6,8-10,18H2,1H3.
What are the key properties of [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 278.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117446543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).