(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol

C13H21NO — CID 102003642

IUPAC(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol
SMILESCN(C)[C@](C)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C13H21NO/c1-12(2,15)13(3,14(4)5)11-9-7-6-8-10-11/h6-10,15H,1-5H3/t13-/m1/s1
InChIKeyJAIXSGYJXOGSSL-CYBMUJFWSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds3

About (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol

(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol (PubChem CID 102003642) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol
PubChem CID102003642
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol
SMILESCN(C)[C@](C)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C13H21NO/c1-12(2,15)13(3,14(4)5)11-9-7-6-8-10-11/h6-10,15H,1-5H3/t13-/m1/s1
InChIKeyJAIXSGYJXOGSSL-CYBMUJFWSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,4R)-2,4-diphenylpentane-2,4-diol
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magnesium;hydride;2-phenylpropan-2-ol
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CID 121216825
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol
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1-(dimethylamino)-1-phenylethanesulfonic acid
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2-(dimethylamino)-2,2-diphenylacetic acid
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1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol?
The IUPAC name of (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol (CID 102003642) is (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol.
What is the SMILES notation for (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol?
The canonical SMILES for (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol is CN(C)[C@](C)(c1ccccc1)C(C)(C)O.
What is the InChIKey of (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol?
The InChIKey is JAIXSGYJXOGSSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,15)13(3,14(4)5)11-9-7-6-8-10-11/h6-10,15H,1-5H3/t13-/m1/s1.
What are the key properties of (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol?
(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol is sourced from PubChem (CID 102003642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).