[2-(difluoromethoxy)-4-propoxyphenyl]methanamine

C11H15F2NO2 — CID 43472144

IUPAC[2-(difluoromethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OC(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-2-5-15-9-4-3-8(7-14)10(6-9)16-11(12)13/h3-4,6,11H,2,5,7,14H2,1H3
InChIKeyJPAFZOAXNVPGMW-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.54
Rot. Bonds6

About [2-(difluoromethoxy)-4-propoxyphenyl]methanamine

[2-(difluoromethoxy)-4-propoxyphenyl]methanamine (PubChem CID 43472144) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethoxy)-4-propoxyphenyl]methanamine
PubChem CID43472144
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name[2-(difluoromethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OC(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-2-5-15-9-4-3-8(7-14)10(6-9)16-11(12)13/h3-4,6,11H,2,5,7,14H2,1H3
InChIKeyJPAFZOAXNVPGMW-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-4-propoxyphenyl]methanamine?
The IUPAC name of [2-(difluoromethoxy)-4-propoxyphenyl]methanamine (CID 43472144) is [2-(difluoromethoxy)-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-(difluoromethoxy)-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-(difluoromethoxy)-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OC(F)F)c1.
What is the InChIKey of [2-(difluoromethoxy)-4-propoxyphenyl]methanamine?
The InChIKey is JPAFZOAXNVPGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-2-5-15-9-4-3-8(7-14)10(6-9)16-11(12)13/h3-4,6,11H,2,5,7,14H2,1H3.
What are the key properties of [2-(difluoromethoxy)-4-propoxyphenyl]methanamine?
[2-(difluoromethoxy)-4-propoxyphenyl]methanamine has a molecular weight of 231.24 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-4-propoxyphenyl]methanamine is sourced from PubChem (CID 43472144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).