4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol

C20H28N2O2 — CID 3843205

IUPAC4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
SMILESCCc1ccc(O)c(CNCCNCc2cc(CC)ccc2O)c1
InChIInChI=1S/C20H28N2O2/c1-3-15-5-7-19(23)17(11-15)13-21-9-10-22-14-18-12-16(4-2)6-8-20(18)24/h5-8,11-12,21-24H,3-4,9-10,13-14H2,1-2H3
InChIKeyKYIAUZRDCLQACY-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.10
Rot. Bonds9

About 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol

4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol (PubChem CID 3843205) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
PubChem CID3843205
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
SMILESCCc1ccc(O)c(CNCCNCc2cc(CC)ccc2O)c1
InChIInChI=1S/C20H28N2O2/c1-3-15-5-7-19(23)17(11-15)13-21-9-10-22-14-18-12-16(4-2)6-8-20(18)24/h5-8,11-12,21-24H,3-4,9-10,13-14H2,1-2H3
InChIKeyKYIAUZRDCLQACY-UHFFFAOYSA-N
XLogP3.10
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.10
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'}

Analyze 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol with MolForge

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Related Compounds

2-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]-4-nonylphenol
CID 72713336
(E)-N-[(5-ethyl-2-hydroxyphenyl)methyl]but-2-enamide
CID 163691030
3-[[2-[(5-carboxy-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-hydroxybenzoic acid
CID 102164830
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
3-[4-hydroxy-3-[[2-[[2-hydroxy-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]methylamino]ethylamino]methyl]phenyl]propanoic acid
CID 164907293
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
4-[[2-[(2,3,4-trihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,2,3-triol
CID 71368052
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822
4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
CID 115602867
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
CID 139241738
4-ethyl-2-(propylamino)phenol
CID 141451403
2-[(5-heptyl-2-hydroxyphenyl)methylamino]ethane-1,1-diol
CID 101326315

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol?
The IUPAC name of 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol (CID 3843205) is 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol.
What is the SMILES notation for 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol?
The canonical SMILES for 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol is CCc1ccc(O)c(CNCCNCc2cc(CC)ccc2O)c1.
What is the InChIKey of 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol?
The InChIKey is KYIAUZRDCLQACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-15-5-7-19(23)17(11-15)13-21-9-10-22-14-18-12-16(4-2)6-8-20(18)24/h5-8,11-12,21-24H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol?
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol has a molecular weight of 328.46 g/mol, XLogP of 3.10, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol is sourced from PubChem (CID 3843205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).