2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine

C10H13F2NO2 — CID 117309017

IUPAC2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
SMILESCOc1c(F)cc(F)c(OC)c1CCN
InChIInChI=1S/C10H13F2NO2/c1-14-9-6(3-4-13)10(15-2)8(12)5-7(9)11/h5H,3-4,13H2,1-2H3
InChIKeyIKKLKWWBRWBTEI-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.48
Rot. Bonds4

About 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine

2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine (PubChem CID 117309017) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
PubChem CID117309017
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
SMILESCOc1c(F)cc(F)c(OC)c1CCN
InChIInChI=1S/C10H13F2NO2/c1-14-9-6(3-4-13)10(15-2)8(12)5-7(9)11/h5H,3-4,13H2,1-2H3
InChIKeyIKKLKWWBRWBTEI-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037
2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117333867
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
CID 117345741
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine (CID 117309017) is 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine is COc1c(F)cc(F)c(OC)c1CCN.
What is the InChIKey of 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine?
The InChIKey is IKKLKWWBRWBTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-14-9-6(3-4-13)10(15-2)8(12)5-7(9)11/h5H,3-4,13H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine?
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine has a molecular weight of 217.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 117309017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).