2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine

C11H15F2NO2 — CID 82004138

IUPAC2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)COCC(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-15-9-4-2-3-8(5-9)10(14)6-16-7-11(12)13/h2-5,10-11H,6-7,14H2,1H3
InChIKeyXMLADUHBNAPZQS-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.98
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine

2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine (PubChem CID 82004138) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
PubChem CID82004138
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)COCC(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-15-9-4-2-3-8(5-9)10(14)6-16-7-11(12)13/h2-5,10-11H,6-7,14H2,1H3
InChIKeyXMLADUHBNAPZQS-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
CID 82003944
1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
CID 103283486
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
CID 106665334
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine (CID 82004138) is 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)COCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is XMLADUHBNAPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-15-9-4-2-3-8(5-9)10(14)6-16-7-11(12)13/h2-5,10-11H,6-7,14H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine?
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 231.24 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82004138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).