(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol

C13H21NO — CID 672914

IUPAC(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
SMILESCN(C)CC[C@@](C)(O)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(15,9-10-14(2)3)11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyKXQRGNJVCRDPDN-CYBMUJFWSA-N
MW207.32 g/mol
LogP1.93
Rot. Bonds5

About (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol

(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol (PubChem CID 672914) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
PubChem CID672914
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
SMILESCN(C)CC[C@@](C)(O)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(15,9-10-14(2)3)11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyKXQRGNJVCRDPDN-CYBMUJFWSA-N
XLogP1.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
CID 102147663
4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
CID 143922823
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one
CID 142943679
2,2-dimethylpropylbenzene;methanol
CID 157125736
1-phenylpentane-2,2-diol
CID 56635388
CID 134889697
CID 134889697

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol?
The IUPAC name of (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol (CID 672914) is (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol.
What is the SMILES notation for (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol?
The canonical SMILES for (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol is CN(C)CC[C@@](C)(O)Cc1ccccc1.
What is the InChIKey of (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol?
The InChIKey is KXQRGNJVCRDPDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(15,9-10-14(2)3)11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol?
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol is sourced from PubChem (CID 672914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).