(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol

C12H19NO2 — CID 171239631

IUPAC(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCOc1cccc([C@@H](N)C(C)(C)CO)c1
InChIInChI=1S/C12H19NO2/c1-12(2,8-14)11(13)9-5-4-6-10(7-9)15-3/h4-7,11,14H,8,13H2,1-3H3/t11-/m1/s1
InChIKeyLSDNNHNMFFYRBJ-LLVKDONJSA-N
MW209.29 g/mol
LogP1.71
Rot. Bonds4

About (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 171239631) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
PubChem CID171239631
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCOc1cccc([C@@H](N)C(C)(C)CO)c1
InChIInChI=1S/C12H19NO2/c1-12(2,8-14)11(13)9-5-4-6-10(7-9)15-3/h4-7,11,14H,8,13H2,1-3H3/t11-/m1/s1
InChIKeyLSDNNHNMFFYRBJ-LLVKDONJSA-N
XLogP1.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171248214
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
(3S)-3-amino-2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 171249837
methyl 3-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzoate
CID 171250953
2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-methoxyphenol;hydrochloride
CID 171240681
(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246300
3-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzonitrile;hydrochloride
CID 171246820
(3S)-3-amino-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171242892
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-ol;hydrochloride
CID 171249308

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol (CID 171239631) is (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol is COc1cccc([C@@H](N)C(C)(C)CO)c1.
What is the InChIKey of (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is LSDNNHNMFFYRBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,8-14)11(13)9-5-4-6-10(7-9)15-3/h4-7,11,14H,8,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.71, 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-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171239631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).