(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol

C19H25NO — CID 688064

IUPAC(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
SMILESC[C@H](CN(C)C)[C@@](O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1
InChIKeyINTCGJHAECYOBW-APWZRJJASA-N
MW283.42 g/mol
LogP3.31
Rot. Bonds6

About (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol

(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol (PubChem CID 688064) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
PubChem CID688064
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
SMILESC[C@H](CN(C)C)[C@@](O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1
InChIKeyINTCGJHAECYOBW-APWZRJJASA-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

(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
CID 124808457
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride
CID 44723488
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630
(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride
CID 15329
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
CID 70534520
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;formaldehyde
CID 175270994
4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol
CID 90893051
1-(dimethylamino)-2-methyl-3-(3-prop-2-enylphenyl)pentan-3-ol
CID 142838917

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
The IUPAC name of (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol (CID 688064) is (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol.
What is the SMILES notation for (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
The canonical SMILES for (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol is C[C@H](CN(C)C)[C@@](O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
The InChIKey is INTCGJHAECYOBW-APWZRJJASA-N. The full InChI is InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1.
What are the key properties of (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-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,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol is sourced from PubChem (CID 688064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).