(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol

C19H25NO — CID 125467630

IUPAC(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
SMILESCN(C)C[C@H](Cc1ccccc1)[C@](C)(O)c1ccccc1
InChIInChI=1S/C19H25NO/c1-19(21,17-12-8-5-9-13-17)18(15-20(2)3)14-16-10-6-4-7-11-16/h4-13,18,21H,14-15H2,1-3H3/t18-,19+/m0/s1
InChIKeyCUJDBHRWYXOKRI-RBUKOAKNSA-N
MW283.42 g/mol
LogP3.31
Rot. Bonds6

About (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol

(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol (PubChem CID 125467630) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
PubChem CID125467630
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
SMILESCN(C)C[C@H](Cc1ccccc1)[C@](C)(O)c1ccccc1
InChIInChI=1S/C19H25NO/c1-19(21,17-12-8-5-9-13-17)18(15-20(2)3)14-16-10-6-4-7-11-16/h4-13,18,21H,14-15H2,1-3H3/t18-,19+/m0/s1
InChIKeyCUJDBHRWYXOKRI-RBUKOAKNSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride
CID 117067679
(2R,3S)-3-benzyl-4-(dimethylamino)-2-(3-phenylmethoxyphenyl)butan-2-ol;hydrochloride
CID 70009427
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
3-[2-benzyl-1-(dimethylamino)-3-hydroxypentan-3-yl]phenol;hydrochloride
CID 139941602
(2S,3S)-3-benzyl-4-(dimethylamino)-1,1,1-trifluoro-2-(3-methoxyphenyl)butan-2-ol
CID 70010842
3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol
CID 13298975
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
(2S,3S)-2-benzyl-1-(dimethylamino)-3-(3-methoxyphenyl)hex-5-en-3-ol
CID 70010916
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
CID 70534520

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol?
The IUPAC name of (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol (CID 125467630) is (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol is CN(C)C[C@H](Cc1ccccc1)[C@](C)(O)c1ccccc1.
What is the InChIKey of (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol?
The InChIKey is CUJDBHRWYXOKRI-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(21,17-12-8-5-9-13-17)18(15-20(2)3)14-16-10-6-4-7-11-16/h4-13,18,21H,14-15H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol?
(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol is sourced from PubChem (CID 125467630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).