1-(2,4,6-trimethylanilino)ethanol

C11H17NO — CID 160916728

IUPAC1-(2,4,6-trimethylanilino)ethanol
SMILESCc1cc(C)c(NC(C)O)c(C)c1
InChIInChI=1S/C11H17NO/c1-7-5-8(2)11(9(3)6-7)12-10(4)13/h5-6,10,12-13H,1-4H3
InChIKeySRMNUPSLURSLMW-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,4,6-trimethylanilino)ethanol

1-(2,4,6-trimethylanilino)ethanol (PubChem CID 160916728) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2,4,6-trimethylanilino)ethanol.

Molecular Properties

Compound Name1-(2,4,6-trimethylanilino)ethanol
PubChem CID160916728
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2,4,6-trimethylanilino)ethanol
SMILESCc1cc(C)c(NC(C)O)c(C)c1
InChIInChI=1S/C11H17NO/c1-7-5-8(2)11(9(3)6-7)12-10(4)13/h5-6,10,12-13H,1-4H3
InChIKeySRMNUPSLURSLMW-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 82505025
1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 20512413
3-(2,4,6-trimethylanilino)butanethioamide
CID 82083745
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
CID 60924783
N-(dicyclopropylmethyl)-2,4,6-trimethylaniline
CID 54861632
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline
CID 63751752
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
CID 102367216
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448442
(2S)-2-(2,4,6-trimethylanilino)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 141280182
trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylanilino)ethanol?
The IUPAC name of 1-(2,4,6-trimethylanilino)ethanol (CID 160916728) is 1-(2,4,6-trimethylanilino)ethanol.
What is the SMILES notation for 1-(2,4,6-trimethylanilino)ethanol?
The canonical SMILES for 1-(2,4,6-trimethylanilino)ethanol is Cc1cc(C)c(NC(C)O)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylanilino)ethanol?
The InChIKey is SRMNUPSLURSLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-5-8(2)11(9(3)6-7)12-10(4)13/h5-6,10,12-13H,1-4H3.
What are the key properties of 1-(2,4,6-trimethylanilino)ethanol?
1-(2,4,6-trimethylanilino)ethanol has a molecular weight of 179.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylanilino)ethanol is sourced from PubChem (CID 160916728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).