2-[1-(ethylamino)ethyl]-3,5-difluorophenol

C10H13F2NO — CID 104581572

IUPAC2-[1-(ethylamino)ethyl]-3,5-difluorophenol
SMILESCCNC(C)c1c(O)cc(F)cc1F
InChIInChI=1S/C10H13F2NO/c1-3-13-6(2)10-8(12)4-7(11)5-9(10)14/h4-6,13-14H,3H2,1-2H3
InChIKeyMHZGLLLCJDCKOP-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.34
Rot. Bonds3

About 2-[1-(ethylamino)ethyl]-3,5-difluorophenol

2-[1-(ethylamino)ethyl]-3,5-difluorophenol (PubChem CID 104581572) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-3,5-difluorophenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-3,5-difluorophenol
PubChem CID104581572
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[1-(ethylamino)ethyl]-3,5-difluorophenol
SMILESCCNC(C)c1c(O)cc(F)cc1F
InChIInChI=1S/C10H13F2NO/c1-3-13-6(2)10-8(12)4-7(11)5-9(10)14/h4-6,13-14H,3H2,1-2H3
InChIKeyMHZGLLLCJDCKOP-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 104582778
2-[(1S)-1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propylamino]ethyl]-3,5-difluorophenol
CID 97305905
2-[(1R)-1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propylamino]ethyl]-3,5-difluorophenol
CID 98878400
2-(2,4-difluoro-6-hydroxyphenyl)propanenitrile
CID 84768886
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108
2-[(1R)-1-amino-3-methylbutyl]-3,5-difluorophenol;hydrochloride
CID 171256551
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490426
N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 105000738
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol
CID 66513917
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
CID 171253179
N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490422
1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-3,5-difluorophenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-3,5-difluorophenol (CID 104581572) is 2-[1-(ethylamino)ethyl]-3,5-difluorophenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-3,5-difluorophenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-3,5-difluorophenol is CCNC(C)c1c(O)cc(F)cc1F.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-3,5-difluorophenol?
The InChIKey is MHZGLLLCJDCKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-3-13-6(2)10-8(12)4-7(11)5-9(10)14/h4-6,13-14H,3H2,1-2H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-3,5-difluorophenol?
2-[1-(ethylamino)ethyl]-3,5-difluorophenol has a molecular weight of 201.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-3,5-difluorophenol is sourced from PubChem (CID 104581572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).