2-[2-(3,5-difluorophenyl)ethylamino]ethanol

C10H13F2NO — CID 62603879

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]ethanol
SMILESOCCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c11-9-5-8(6-10(12)7-9)1-2-13-3-4-14/h5-7,13-14H,1-4H2
InChIKeyAFCAVQWDXHQNST-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.09
Rot. Bonds5

About 2-[2-(3,5-difluorophenyl)ethylamino]ethanol

2-[2-(3,5-difluorophenyl)ethylamino]ethanol (PubChem CID 62603879) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]ethanol
PubChem CID62603879
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]ethanol
SMILESOCCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c11-9-5-8(6-10(12)7-9)1-2-13-3-4-14/h5-7,13-14H,1-4H2
InChIKeyAFCAVQWDXHQNST-UHFFFAOYSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol
CID 62603880
N-[2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 64554825
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile
CID 62615420
2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 62616300
2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
CID 171653205
methyl 4-[2-(3,5-difluorophenyl)ethylamino]butanoate
CID 62615955
2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 103249006
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]ethanol (CID 62603879) is 2-[2-(3,5-difluorophenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]ethanol is OCCNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]ethanol?
The InChIKey is AFCAVQWDXHQNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-9-5-8(6-10(12)7-9)1-2-13-3-4-14/h5-7,13-14H,1-4H2.
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]ethanol?
2-[2-(3,5-difluorophenyl)ethylamino]ethanol has a molecular weight of 201.22 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethylamino]ethanol is sourced from PubChem (CID 62603879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).