(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol

C13H21NO — CID 14962367

IUPAC(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
SMILESC[C@H](CN(C)C)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(10-14(3)4)13(2,15)12-8-6-5-7-9-12/h5-9,11,15H,10H2,1-4H3/t11-,13-/m1/s1
InChIKeyVSWBVLGQKOKQKB-DGCLKSJQSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds4

About (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol

(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol (PubChem CID 14962367) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
PubChem CID14962367
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
SMILESC[C@H](CN(C)C)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(10-14(3)4)13(2,15)12-8-6-5-7-9-12/h5-9,11,15H,10H2,1-4H3/t11-,13-/m1/s1
InChIKeyVSWBVLGQKOKQKB-DGCLKSJQSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R,3R)-4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol;hydrochloride
CID 70159443
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol
CID 142658969
3-methyl-2-phenylpentan-2-ol
CID 13024634
(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630
(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol
CID 13298975
1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
CID 173385557
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol?
The IUPAC name of (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol (CID 14962367) is (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol.
What is the SMILES notation for (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol?
The canonical SMILES for (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol is C[C@H](CN(C)C)[C@@](C)(O)c1ccccc1.
What is the InChIKey of (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol?
The InChIKey is VSWBVLGQKOKQKB-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(10-14(3)4)13(2,15)12-8-6-5-7-9-12/h5-9,11,15H,10H2,1-4H3/t11-,13-/m1/s1.
What are the key properties of (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol?
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol is sourced from PubChem (CID 14962367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).