2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol

C10H13ClFNO2 — CID 83895823

IUPAC2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol
SMILESCCOc1cc(Cl)c(F)cc1C(N)CO
InChIInChI=1S/C10H13ClFNO2/c1-2-15-10-4-7(11)8(12)3-6(10)9(13)5-14/h3-4,9,14H,2,5,13H2,1H3
InChIKeyNBKODNHGMVDGFG-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol

2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol (PubChem CID 83895823) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol
PubChem CID83895823
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol
SMILESCCOc1cc(Cl)c(F)cc1C(N)CO
InChIInChI=1S/C10H13ClFNO2/c1-2-15-10-4-7(11)8(12)3-6(10)9(13)5-14/h3-4,9,14H,2,5,13H2,1H3
InChIKeyNBKODNHGMVDGFG-UHFFFAOYSA-N
XLogP1.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84788284
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol (CID 83895823) is 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol is CCOc1cc(Cl)c(F)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol?
The InChIKey is NBKODNHGMVDGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-2-15-10-4-7(11)8(12)3-6(10)9(13)5-14/h3-4,9,14H,2,5,13H2,1H3.
What are the key properties of 2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol?
2-amino-2-(4-chloro-2-ethoxy-5-fluorophenyl)ethanol has a molecular weight of 233.67 g/mol, XLogP of 1.87, 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-chloro-2-ethoxy-5-fluorophenyl)ethanol is sourced from PubChem (CID 83895823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).