[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine

C12H15F2NO — CID 90156027

IUPAC[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(C2CC2(F)F)c(CN)c1
InChIInChI=1S/C12H15F2NO/c1-16-7-8-2-3-10(9(4-8)6-15)11-5-12(11,13)14/h2-4,11H,5-7,15H2,1H3
InChIKeyHKCWHSXUEIAOLO-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.41
Rot. Bonds4

About [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine

[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine (PubChem CID 90156027) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine
PubChem CID90156027
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(C2CC2(F)F)c(CN)c1
InChIInChI=1S/C12H15F2NO/c1-16-7-8-2-3-10(9(4-8)6-15)11-5-12(11,13)14/h2-4,11H,5-7,15H2,1H3
InChIKeyHKCWHSXUEIAOLO-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine?
The IUPAC name of [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine (CID 90156027) is [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine is COCc1ccc(C2CC2(F)F)c(CN)c1.
What is the InChIKey of [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine?
The InChIKey is HKCWHSXUEIAOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-7-8-2-3-10(9(4-8)6-15)11-5-12(11,13)14/h2-4,11H,5-7,15H2,1H3.
What are the key properties of [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine?
[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine has a molecular weight of 227.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 90156027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).