2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol

C14H23NO2 — CID 62550784

IUPAC2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol
SMILESCc1cc(C)c(CN(CCO)CCO)c(C)c1
InChIInChI=1S/C14H23NO2/c1-11-8-12(2)14(13(3)9-11)10-15(4-6-16)5-7-17/h8-9,16-17H,4-7,10H2,1-3H3
InChIKeyKQAIEGPECLOISI-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.40
Rot. Bonds6

About 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol

2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol (PubChem CID 62550784) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol
PubChem CID62550784
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol
SMILESCc1cc(C)c(CN(CCO)CCO)c(C)c1
InChIInChI=1S/C14H23NO2/c1-11-8-12(2)14(13(3)9-11)10-15(4-6-16)5-7-17/h8-9,16-17H,4-7,10H2,1-3H3
InChIKeyKQAIEGPECLOISI-UHFFFAOYSA-N
XLogP1.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol (CID 62550784) is 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol is Cc1cc(C)c(CN(CCO)CCO)c(C)c1.
What is the InChIKey of 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol?
The InChIKey is KQAIEGPECLOISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-8-12(2)14(13(3)9-11)10-15(4-6-16)5-7-17/h8-9,16-17H,4-7,10H2,1-3H3.
What are the key properties of 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol?
2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 62550784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).