2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol

C18H24N2O2 — CID 3627083

IUPAC2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1
InChIInChI=1S/C18H24N2O2/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22/h3-6,9-10,19-22H,7-8,11-12H2,1-2H3
InChIKeyFPLZZQVRIKYDDZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.59
Rot. Bonds7

About 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol

2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol (PubChem CID 3627083) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol
PubChem CID3627083
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1
InChIInChI=1S/C18H24N2O2/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22/h3-6,9-10,19-22H,7-8,11-12H2,1-2H3
InChIKeyFPLZZQVRIKYDDZ-UHFFFAOYSA-N
XLogP2.59
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol (CID 3627083) is 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol is Cc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1.
What is the InChIKey of 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol?
The InChIKey is FPLZZQVRIKYDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22/h3-6,9-10,19-22H,7-8,11-12H2,1-2H3.
What are the key properties of 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol?
2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol has a molecular weight of 300.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol is sourced from PubChem (CID 3627083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).