2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol

C11H15F2NO2 — CID 103376913

IUPAC2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol
SMILESNCC(OCCO)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2NO2/c12-11(13)9-3-1-8(2-4-9)10(7-14)16-6-5-15/h1-4,10-11,15H,5-7,14H2
InChIKeyUNVKFJQWZPWSLU-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.63
Rot. Bonds6

About 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol

2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol (PubChem CID 103376913) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol
PubChem CID103376913
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol
SMILESNCC(OCCO)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2NO2/c12-11(13)9-3-1-8(2-4-9)10(7-14)16-6-5-15/h1-4,10-11,15H,5-7,14H2
InChIKeyUNVKFJQWZPWSLU-UHFFFAOYSA-N
XLogP1.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55015264
2-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82789383
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020
2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol
CID 103376804
2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587194
2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394
2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
CID 115524491
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
2-[2-amino-1-(2-cyclopropylphenyl)ethoxy]ethanol
CID 103376735
2-(4-bromophenyl)-2-heptoxyethanamine
CID 63459731
2-ethoxy-2-(4-propan-2-ylphenyl)ethanamine
CID 66071740
2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile
CID 103375914

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol?
The IUPAC name of 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol (CID 103376913) is 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol is NCC(OCCO)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol?
The InChIKey is UNVKFJQWZPWSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c12-11(13)9-3-1-8(2-4-9)10(7-14)16-6-5-15/h1-4,10-11,15H,5-7,14H2.
What are the key properties of 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol?
2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol has a molecular weight of 231.24 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol is sourced from PubChem (CID 103376913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).