[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium

C15H17FNO+ — CID 123679899

IUPAC[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium
SMILESC#[N+]CC1CC1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C15H17FNO/c1-17-8-11-6-13(11)14-7-12(16)4-5-15(14)18-9-10-2-3-10/h1,4-5,7,10-11,13H,2-3,6,8-9H2/q+1
InChIKeyKZIJOPBFXKVOFA-UHFFFAOYSA-N
MW246.30 g/mol
LogP3.68
Rot. Bonds5

About [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium

[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium (PubChem CID 123679899) has the molecular formula C15H17FNO+ and a molecular weight of 246.30 g/mol. Its IUPAC name is [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium.

Molecular Properties

Compound Name[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium
PubChem CID123679899
Molecular FormulaC15H17FNO+
Molecular Weight246.30 g/mol
Exact Mass246.13
IUPAC Name[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium
SMILESC#[N+]CC1CC1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C15H17FNO/c1-17-8-11-6-13(11)14-7-12(16)4-5-15(14)18-9-10-2-3-10/h1,4-5,7,10-11,13H,2-3,6,8-9H2/q+1
InChIKeyKZIJOPBFXKVOFA-UHFFFAOYSA-N
XLogP3.68
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium?
The IUPAC name of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium (CID 123679899) is [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium.
What is the SMILES notation for [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium?
The canonical SMILES for [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium is C#[N+]CC1CC1c1cc(F)ccc1OCC1CC1.
What is the InChIKey of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium?
The InChIKey is KZIJOPBFXKVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FNO/c1-17-8-11-6-13(11)14-7-12(16)4-5-15(14)18-9-10-2-3-10/h1,4-5,7,10-11,13H,2-3,6,8-9H2/q+1.
What are the key properties of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium?
[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium has a molecular weight of 246.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium is sourced from PubChem (CID 123679899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).