3-(2,3,5,6-tetramethylanilino)propan-1-ol

C13H21NO — CID 115216623

IUPAC3-(2,3,5,6-tetramethylanilino)propan-1-ol
SMILESCc1cc(C)c(C)c(NCCCO)c1C
InChIInChI=1S/C13H21NO/c1-9-8-10(2)12(4)13(11(9)3)14-6-5-7-15/h8,14-15H,5-7H2,1-4H3
InChIKeyVCILYJVQWBGLBQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds4

About 3-(2,3,5,6-tetramethylanilino)propan-1-ol

3-(2,3,5,6-tetramethylanilino)propan-1-ol (PubChem CID 115216623) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2,3,5,6-tetramethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,5,6-tetramethylanilino)propan-1-ol
PubChem CID115216623
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2,3,5,6-tetramethylanilino)propan-1-ol
SMILESCc1cc(C)c(C)c(NCCCO)c1C
InChIInChI=1S/C13H21NO/c1-9-8-10(2)12(4)13(11(9)3)14-6-5-7-15/h8,14-15H,5-7H2,1-4H3
InChIKeyVCILYJVQWBGLBQ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine
CID 115201667
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
CID 82315649
5-(2,6-dibromo-4-methylanilino)pentan-1-ol
CID 62226962
3-(2-methylanilino)propan-1-ol
CID 18005925
3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319
1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
CID 115216703

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6-tetramethylanilino)propan-1-ol?
The IUPAC name of 3-(2,3,5,6-tetramethylanilino)propan-1-ol (CID 115216623) is 3-(2,3,5,6-tetramethylanilino)propan-1-ol.
What is the SMILES notation for 3-(2,3,5,6-tetramethylanilino)propan-1-ol?
The canonical SMILES for 3-(2,3,5,6-tetramethylanilino)propan-1-ol is Cc1cc(C)c(C)c(NCCCO)c1C.
What is the InChIKey of 3-(2,3,5,6-tetramethylanilino)propan-1-ol?
The InChIKey is VCILYJVQWBGLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-8-10(2)12(4)13(11(9)3)14-6-5-7-15/h8,14-15H,5-7H2,1-4H3.
What are the key properties of 3-(2,3,5,6-tetramethylanilino)propan-1-ol?
3-(2,3,5,6-tetramethylanilino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6-tetramethylanilino)propan-1-ol is sourced from PubChem (CID 115216623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).