2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine

C10H13F2NO — CID 10655684

IUPAC2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1ccc(F)c(CCN)c1F
InChIInChI=1S/C10H13F2NO/c1-14-6-7-2-3-9(11)8(4-5-13)10(7)12/h2-3H,4-6,13H2,1H3
InChIKeyGRZLMSJTPBZQJZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.61
Rot. Bonds4

About 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine

2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine (PubChem CID 10655684) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine
PubChem CID10655684
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1ccc(F)c(CCN)c1F
InChIInChI=1S/C10H13F2NO/c1-14-6-7-2-3-9(11)8(4-5-13)10(7)12/h2-3H,4-6,13H2,1H3
InChIKeyGRZLMSJTPBZQJZ-UHFFFAOYSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 30514
CID 30514
CID 27139
CID 27139
CID 3046412
CID 3046412
CID 409782
CID 409782
CID 18322329
CID 18322329
CID 36688409
CID 36688409
CID 3046421
CID 3046421
CID 3046413
CID 3046413
CID 16787292
CID 16787292
CID 16227394
CID 16227394
CID 28996105
CID 28996105
CID 53276254
CID 53276254

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine (CID 10655684) is 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine is COCc1ccc(F)c(CCN)c1F.
What is the InChIKey of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine?
The InChIKey is GRZLMSJTPBZQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-6-7-2-3-9(11)8(4-5-13)10(7)12/h2-3H,4-6,13H2,1H3.
What are the key properties of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine?
2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine has a molecular weight of 201.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-3-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 10655684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).