2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine

C13H19F2NO — CID 176701818

IUPAC2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
SMILESCC(C)c1c(F)cc(F)cc1OCCN(C)C
InChIInChI=1S/C13H19F2NO/c1-9(2)13-11(15)7-10(14)8-12(13)17-6-5-16(3)4/h7-9H,5-6H2,1-4H3
InChIKeySRBKTSKSYZTSSV-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.03
Rot. Bonds5

About 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine

2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine (PubChem CID 176701818) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
PubChem CID176701818
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
SMILESCC(C)c1c(F)cc(F)cc1OCCN(C)C
InChIInChI=1S/C13H19F2NO/c1-9(2)13-11(15)7-10(14)8-12(13)17-6-5-16(3)4/h7-9H,5-6H2,1-4H3
InChIKeySRBKTSKSYZTSSV-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine (CID 176701818) is 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine is CC(C)c1c(F)cc(F)cc1OCCN(C)C.
What is the InChIKey of 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
The InChIKey is SRBKTSKSYZTSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)13-11(15)7-10(14)8-12(13)17-6-5-16(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine has a molecular weight of 243.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-propan-2-ylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 176701818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).