(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol

C13H21NO4 — CID 70539153

IUPAC(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol
SMILESCc1ccc(NC[C@@H](O)[C@@H](O)[C@H](O)CO)c(C)c1
InChIInChI=1S/C13H21NO4/c1-8-3-4-10(9(2)5-8)14-6-11(16)13(18)12(17)7-15/h3-5,11-18H,6-7H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyUIRHZMSUTRWAIS-JHJVBQTASA-N
MW255.31 g/mol
LogP-0.21
Rot. Bonds6

About (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol

(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol (PubChem CID 70539153) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol
PubChem CID70539153
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol
SMILESCc1ccc(NC[C@@H](O)[C@@H](O)[C@H](O)CO)c(C)c1
InChIInChI=1S/C13H21NO4/c1-8-3-4-10(9(2)5-8)14-6-11(16)13(18)12(17)7-15/h3-5,11-18H,6-7H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyUIRHZMSUTRWAIS-JHJVBQTASA-N
XLogP-0.21
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60903681
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol
CID 7452612
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol
CID 25169850
N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline
CID 54856285
1-(2,4-dimethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902815
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
CID 168593503
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol (CID 70539153) is (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol is Cc1ccc(NC[C@@H](O)[C@@H](O)[C@H](O)CO)c(C)c1.
What is the InChIKey of (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol?
The InChIKey is UIRHZMSUTRWAIS-JHJVBQTASA-N. The full InChI is InChI=1S/C13H21NO4/c1-8-3-4-10(9(2)5-8)14-6-11(16)13(18)12(17)7-15/h3-5,11-18H,6-7H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol?
(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol has a molecular weight of 255.31 g/mol, XLogP of -0.21, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 70539153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).