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

C11H15F2NO2 — CID 84694404

IUPAC2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(N)CO)cc1C(C)(F)F
InChIInChI=1S/C11H15F2NO2/c1-11(12,13)8-5-7(9(14)6-15)3-4-10(8)16-2/h3-5,9,15H,6,14H2,1-2H3
InChIKeyXRKZQWRTAKNIBE-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.80
Rot. Bonds4

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

2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol (PubChem CID 84694404) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
PubChem CID84694404
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(N)CO)cc1C(C)(F)F
InChIInChI=1S/C11H15F2NO2/c1-11(12,13)8-5-7(9(14)6-15)3-4-10(8)16-2/h3-5,9,15H,6,14H2,1-2H3
InChIKeyXRKZQWRTAKNIBE-UHFFFAOYSA-N
XLogP1.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate
CID 66514971
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol?
The IUPAC name of 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol (CID 84694404) is 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol is COc1ccc(C(N)CO)cc1C(C)(F)F.
What is the InChIKey of 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol?
The InChIKey is XRKZQWRTAKNIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-11(12,13)8-5-7(9(14)6-15)3-4-10(8)16-2/h3-5,9,15H,6,14H2,1-2H3.
What are the key properties of 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol?
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol has a molecular weight of 231.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 84694404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).