2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol

C19H25NO3 — CID 135391539

IUPAC2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
SMILESCCc1cc(OC)c(CCNCc2ccccc2O)cc1OC
InChIInChI=1S/C19H25NO3/c1-4-14-11-19(23-3)15(12-18(14)22-2)9-10-20-13-16-7-5-6-8-17(16)21/h5-8,11-12,20-21H,4,9-10,13H2,1-3H3
InChIKeySYBINTRPEZWFLZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.30
Rot. Bonds8

About 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol

2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol (PubChem CID 135391539) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
PubChem CID135391539
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
SMILESCCc1cc(OC)c(CCNCc2ccccc2O)cc1OC
InChIInChI=1S/C19H25NO3/c1-4-14-11-19(23-3)15(12-18(14)22-2)9-10-20-13-16-7-5-6-8-17(16)21/h5-8,11-12,20-21H,4,9-10,13H2,1-3H3
InChIKeySYBINTRPEZWFLZ-UHFFFAOYSA-N
XLogP3.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
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-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol (CID 135391539) is 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol is CCc1cc(OC)c(CCNCc2ccccc2O)cc1OC.
What is the InChIKey of 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
The InChIKey is SYBINTRPEZWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-14-11-19(23-3)15(12-18(14)22-2)9-10-20-13-16-7-5-6-8-17(16)21/h5-8,11-12,20-21H,4,9-10,13H2,1-3H3.
What are the key properties of 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol has a molecular weight of 315.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 135391539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).