(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride

C12H19ClFNO2 — CID 171246300

IUPAC(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](N)C(C)(C)CO)c(F)c1.Cl
InChIInChI=1S/C12H18FNO2.ClH/c1-12(2,7-15)11(14)9-5-4-8(16-3)6-10(9)13;/h4-6,11,15H,7,14H2,1-3H3;1H/t11-;/m0./s1
InChIKeyAQVJHUXSHZFPDQ-MERQFXBCSA-N
MW263.74 g/mol
LogP2.27
Rot. Bonds4

About (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride

(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride (PubChem CID 171246300) has the molecular formula C12H19ClFNO2 and a molecular weight of 263.74 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
PubChem CID171246300
Molecular FormulaC12H19ClFNO2
Molecular Weight263.74 g/mol
Exact Mass263.11
IUPAC Name(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](N)C(C)(C)CO)c(F)c1.Cl
InChIInChI=1S/C12H18FNO2.ClH/c1-12(2,7-15)11(14)9-5-4-8(16-3)6-10(9)13;/h4-6,11,15H,7,14H2,1-3H3;1H/t11-;/m0./s1
InChIKeyAQVJHUXSHZFPDQ-MERQFXBCSA-N
XLogP2.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171242892
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251915
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
2-ethoxy-2-ethyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 103395886
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
CID 171246174
ethyl (3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 171246292
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride (CID 171246300) is (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride is COc1ccc([C@H](N)C(C)(C)CO)c(F)c1.Cl.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride?
The InChIKey is AQVJHUXSHZFPDQ-MERQFXBCSA-N. The full InChI is InChI=1S/C12H18FNO2.ClH/c1-12(2,7-15)11(14)9-5-4-8(16-3)6-10(9)13;/h4-6,11,15H,7,14H2,1-3H3;1H/t11-;/m0./s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride?
(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride has a molecular weight of 263.74 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171246300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).