N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine

C11H15F2NO2 — CID 60657413

IUPACN-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1ccc(F)c(F)c1)OC
InChIInChI=1S/C11H15F2NO2/c1-15-11(16-2)7-14-6-8-3-4-9(12)10(13)5-8/h3-5,11,14H,6-7H2,1-2H3
InChIKeySYVAUJZESLIARM-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.67
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine

N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine (PubChem CID 60657413) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine
PubChem CID60657413
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1ccc(F)c(F)c1)OC
InChIInChI=1S/C11H15F2NO2/c1-15-11(16-2)7-14-6-8-3-4-9(12)10(13)5-8/h3-5,11,14H,6-7H2,1-2H3
InChIKeySYVAUJZESLIARM-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine (CID 60657413) is N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine is COC(CNCc1ccc(F)c(F)c1)OC.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is SYVAUJZESLIARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-15-11(16-2)7-14-6-8-3-4-9(12)10(13)5-8/h3-5,11,14H,6-7H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine?
N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine has a molecular weight of 231.24 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60657413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).