(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol

C12H18FNO — CID 131494275

IUPAC(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1cc([C@@H](N)C(C)(C)CO)ccc1F
InChIInChI=1S/C12H18FNO/c1-8-6-9(4-5-10(8)13)11(14)12(2,3)7-15/h4-6,11,15H,7,14H2,1-3H3/t11-/m1/s1
InChIKeyLBDBWDLFVGJHDY-LLVKDONJSA-N
MW211.28 g/mol
LogP2.15
Rot. Bonds3

About (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 131494275) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
PubChem CID131494275
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1cc([C@@H](N)C(C)(C)CO)ccc1F
InChIInChI=1S/C12H18FNO/c1-8-6-9(4-5-10(8)13)11(14)12(2,3)7-15/h4-6,11,15H,7,14H2,1-3H3/t11-/m1/s1
InChIKeyLBDBWDLFVGJHDY-LLVKDONJSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(4-fluoro-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938269
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
4-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-fluorophenol
CID 131542060
(3S)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247249
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(3R)-3-amino-3-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241582
(3S)-3-amino-3-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248300
(3S)-3-amino-3-(3-chloro-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131397934
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
CID 131427430
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248708

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol (CID 131494275) is (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol is Cc1cc([C@@H](N)C(C)(C)CO)ccc1F.
What is the InChIKey of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is LBDBWDLFVGJHDY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8-6-9(4-5-10(8)13)11(14)12(2,3)7-15/h4-6,11,15H,7,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 131494275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).