3-(2,3,5,6-tetramethylanilino)propane-1,2-diol

C13H21NO2 — CID 115121873

IUPAC3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
SMILESCc1cc(C)c(C)c(NCC(O)CO)c1C
InChIInChI=1S/C13H21NO2/c1-8-5-9(2)11(4)13(10(8)3)14-6-12(16)7-15/h5,12,14-16H,6-7H2,1-4H3
InChIKeyVWFNLRRHLXYAFF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds4

About 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol

3-(2,3,5,6-tetramethylanilino)propane-1,2-diol (PubChem CID 115121873) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
PubChem CID115121873
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
SMILESCc1cc(C)c(C)c(NCC(O)CO)c1C
InChIInChI=1S/C13H21NO2/c1-8-5-9(2)11(4)13(10(8)3)14-6-12(16)7-15/h5,12,14-16H,6-7H2,1-4H3
InChIKeyVWFNLRRHLXYAFF-UHFFFAOYSA-N
XLogP1.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
2-(2,3-dihydroxypropylamino)-3,5-dimethylbenzenesulfonamide
CID 168596769
(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582
3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
CID 168596416
3-(2,3,5,6-tetramethylanilino)propan-1-ol
CID 115216623
3-methyl-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115219701
2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
CID 115249694
3-(4-bromo-2,5-dimethylanilino)propane-1,2-diol
CID 168596082
3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
CID 168594723
3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol
CID 168597183
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol?
The IUPAC name of 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol (CID 115121873) is 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol?
The canonical SMILES for 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol is Cc1cc(C)c(C)c(NCC(O)CO)c1C.
What is the InChIKey of 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol?
The InChIKey is VWFNLRRHLXYAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-5-9(2)11(4)13(10(8)3)14-6-12(16)7-15/h5,12,14-16H,6-7H2,1-4H3.
What are the key properties of 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol?
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol has a molecular weight of 223.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6-tetramethylanilino)propane-1,2-diol is sourced from PubChem (CID 115121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).