5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol

C17H21NO3 — CID 43201039

IUPAC5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1ccc(CNC(C)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H21NO3/c1-12(16-9-8-15(21-3)10-17(16)19)18-11-13-4-6-14(20-2)7-5-13/h4-10,12,18-19H,11H2,1-3H3
InChIKeyJDAQQRCGLXYDBH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.26
Rot. Bonds6

About 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol

5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol (PubChem CID 43201039) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
PubChem CID43201039
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1ccc(CNC(C)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H21NO3/c1-12(16-9-8-15(21-3)10-17(16)19)18-11-13-4-6-14(20-2)7-5-13/h4-10,12,18-19H,11H2,1-3H3
InChIKeyJDAQQRCGLXYDBH-UHFFFAOYSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
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CID 65246248
1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 22483194
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
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CID 106370137
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol (CID 43201039) is 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol is COc1ccc(CNC(C)c2ccc(OC)cc2O)cc1.
What is the InChIKey of 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol?
The InChIKey is JDAQQRCGLXYDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(16-9-8-15(21-3)10-17(16)19)18-11-13-4-6-14(20-2)7-5-13/h4-10,12,18-19H,11H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol?
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 43201039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).