(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride

C9H13ClFNO2 — CID 171224919

IUPAC(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1cc(F)ccc1[C@@H](N)CO.Cl
InChIInChI=1S/C9H12FNO2.ClH/c1-13-9-4-6(10)2-3-7(9)8(11)5-12;/h2-4,8,12H,5,11H2,1H3;1H/t8-;/m0./s1
InChIKeyDGBHLQIRFGVJHA-QRPNPIFTSA-N
MW221.66 g/mol
LogP1.25
Rot. Bonds3

About (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride

(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride (PubChem CID 171224919) has the molecular formula C9H13ClFNO2 and a molecular weight of 221.66 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
PubChem CID171224919
Molecular FormulaC9H13ClFNO2
Molecular Weight221.66 g/mol
Exact Mass221.06
IUPAC Name(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1cc(F)ccc1[C@@H](N)CO.Cl
InChIInChI=1S/C9H12FNO2.ClH/c1-13-9-4-6(10)2-3-7(9)8(11)5-12;/h2-4,8,12H,5,11H2,1H3;1H/t8-;/m0./s1
InChIKeyDGBHLQIRFGVJHA-QRPNPIFTSA-N
XLogP1.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
(3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanenitrile
CID 131196533
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride (CID 171224919) is (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride is COc1cc(F)ccc1[C@@H](N)CO.Cl.
What is the InChIKey of (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is DGBHLQIRFGVJHA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H12FNO2.ClH/c1-13-9-4-6(10)2-3-7(9)8(11)5-12;/h2-4,8,12H,5,11H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 221.66 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171224919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).