2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol

C10H14FNO2 — CID 82282191

IUPAC2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
SMILESCCOc1ccc(C(N)CO)cc1F
InChIInChI=1S/C10H14FNO2/c1-2-14-10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6,12H2,1H3
InChIKeyKKZIFXMVPONHQS-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol

2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol (PubChem CID 82282191) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
PubChem CID82282191
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
SMILESCCOc1ccc(C(N)CO)cc1F
InChIInChI=1S/C10H14FNO2/c1-2-14-10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6,12H2,1H3
InChIKeyKKZIFXMVPONHQS-UHFFFAOYSA-N
XLogP1.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
CID 116848774
(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
CID 66514904
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
3,4-diamino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 116942807
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol (CID 82282191) is 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol is CCOc1ccc(C(N)CO)cc1F.
What is the InChIKey of 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol?
The InChIKey is KKZIFXMVPONHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-2-14-10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6,12H2,1H3.
What are the key properties of 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol?
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol has a molecular weight of 199.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol is sourced from PubChem (CID 82282191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).