2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine

C11H15F2NO — CID 84681003

IUPAC2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1C(C)(F)F
InChIInChI=1S/C11H15F2NO/c1-11(12,13)9-7-8(5-6-14)3-4-10(9)15-2/h3-4,7H,5-6,14H2,1-2H3
InChIKeyBITOPLHQESAXNI-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.31
Rot. Bonds4

About 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine

2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine (PubChem CID 84681003) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
PubChem CID84681003
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1C(C)(F)F
InChIInChI=1S/C11H15F2NO/c1-11(12,13)9-7-8(5-6-14)3-4-10(9)15-2/h3-4,7H,5-6,14H2,1-2H3
InChIKeyBITOPLHQESAXNI-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
CID 117333808
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
CID 117458194
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine (CID 84681003) is 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine is COc1ccc(CCN)cc1C(C)(F)F.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine?
The InChIKey is BITOPLHQESAXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(12,13)9-7-8(5-6-14)3-4-10(9)15-2/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine?
2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 84681003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).