1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride

C10H14ClF2NO — CID 131801467

IUPAC1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1cccc(OCC(F)F)c1.Cl
InChIInChI=1S/C10H13F2NO.ClH/c1-7(13)8-3-2-4-9(5-8)14-6-10(11)12;/h2-5,7,10H,6,13H2,1H3;1H
InChIKeyISYWFEZOUZILQG-UHFFFAOYSA-N
MW237.68 g/mol
LogP2.77
Rot. Bonds4

About 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride

1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 131801467) has the molecular formula C10H14ClF2NO and a molecular weight of 237.68 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
PubChem CID131801467
Molecular FormulaC10H14ClF2NO
Molecular Weight237.68 g/mol
Exact Mass237.07
IUPAC Name1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1cccc(OCC(F)F)c1.Cl
InChIInChI=1S/C10H13F2NO.ClH/c1-7(13)8-3-2-4-9(5-8)14-6-10(11)12;/h2-5,7,10H,6,13H2,1H3;1H
InChIKeyISYWFEZOUZILQG-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
CID 63930638
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-[3-[(1R)-1-aminoethyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 78955931
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
2-[3-(2,2-difluoroethoxy)phenyl]propanedioic acid
CID 151482458

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride (CID 131801467) is 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride is CC(N)c1cccc(OCC(F)F)c1.Cl.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is ISYWFEZOUZILQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO.ClH/c1-7(13)8-3-2-4-9(5-8)14-6-10(11)12;/h2-5,7,10H,6,13H2,1H3;1H.
What are the key properties of 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride?
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 131801467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).