2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol

C13H22N2O3 — CID 20645764

IUPAC2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol
SMILESCc1cc(CNCCO)c(O)c(CNCCO)c1
InChIInChI=1S/C13H22N2O3/c1-10-6-11(8-14-2-4-16)13(18)12(7-10)9-15-3-5-17/h6-7,14-18H,2-5,8-9H2,1H3
InChIKeyJUOFWYNHVFNJQN-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.14
Rot. Bonds8

About 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol

2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol (PubChem CID 20645764) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol
PubChem CID20645764
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol
SMILESCc1cc(CNCCO)c(O)c(CNCCO)c1
InChIInChI=1S/C13H22N2O3/c1-10-6-11(8-14-2-4-16)13(18)12(7-10)9-15-3-5-17/h6-7,14-18H,2-5,8-9H2,1H3
InChIKeyJUOFWYNHVFNJQN-UHFFFAOYSA-N
XLogP-0.14
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol?
The IUPAC name of 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol (CID 20645764) is 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol.
What is the SMILES notation for 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol?
The canonical SMILES for 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol is Cc1cc(CNCCO)c(O)c(CNCCO)c1.
What is the InChIKey of 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol?
The InChIKey is JUOFWYNHVFNJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-6-11(8-14-2-4-16)13(18)12(7-10)9-15-3-5-17/h6-7,14-18H,2-5,8-9H2,1H3.
What are the key properties of 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol?
2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol has a molecular weight of 254.33 g/mol, XLogP of -0.14, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2-hydroxyethylamino)methyl]-4-methylphenol is sourced from PubChem (CID 20645764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).