3-(N,2,4,6-tetramethylanilino)propane-1,2-diol

C13H21NO2 — CID 115121983

IUPAC3-(N,2,4,6-tetramethylanilino)propane-1,2-diol
SMILESCc1cc(C)c(N(C)CC(O)CO)c(C)c1
InChIInChI=1S/C13H21NO2/c1-9-5-10(2)13(11(3)6-9)14(4)7-12(16)8-15/h5-6,12,15-16H,7-8H2,1-4H3
InChIKeyTZUCGUDCTYRTBA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.40
Rot. Bonds4

About 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol

3-(N,2,4,6-tetramethylanilino)propane-1,2-diol (PubChem CID 115121983) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(N,2,4,6-tetramethylanilino)propane-1,2-diol
PubChem CID115121983
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(N,2,4,6-tetramethylanilino)propane-1,2-diol
SMILESCc1cc(C)c(N(C)CC(O)CO)c(C)c1
InChIInChI=1S/C13H21NO2/c1-9-5-10(2)13(11(3)6-9)14(4)7-12(16)8-15/h5-6,12,15-16H,7-8H2,1-4H3
InChIKeyTZUCGUDCTYRTBA-UHFFFAOYSA-N
XLogP1.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
CID 115121985
3-(4,5-dimethoxy-N,2-dimethylanilino)propane-1,2-diol
CID 115122024
3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol
CID 115122058
1-bromo-3-(N,2,4-trimethylanilino)propan-2-ol
CID 112561545
[1-[(N,2,4,6-tetramethylanilino)methyl]cyclopropyl]methanol
CID 115243342
1,3-dimethyl-1,3-bis(2,4,6-trimethylphenyl)guanidine
CID 177044470
1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol
CID 21413032
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
CID 115773225

Frequently Asked Questions

What is the IUPAC name of 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol?
The IUPAC name of 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol (CID 115121983) is 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol?
The canonical SMILES for 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol is Cc1cc(C)c(N(C)CC(O)CO)c(C)c1.
What is the InChIKey of 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol?
The InChIKey is TZUCGUDCTYRTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-5-10(2)13(11(3)6-9)14(4)7-12(16)8-15/h5-6,12,15-16H,7-8H2,1-4H3.
What are the key properties of 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol?
3-(N,2,4,6-tetramethylanilino)propane-1,2-diol has a molecular weight of 223.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,2,4,6-tetramethylanilino)propane-1,2-diol is sourced from PubChem (CID 115121983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).