2-ethoxy-6-[(2-phenylethylamino)methyl]phenol

C17H21NO2 — CID 3043276

IUPAC2-ethoxy-6-[(2-phenylethylamino)methyl]phenol
SMILESCCOc1cccc(CNCCc2ccccc2)c1O
InChIInChI=1S/C17H21NO2/c1-2-20-16-10-6-9-15(17(16)19)13-18-12-11-14-7-4-3-5-8-14/h3-10,18-19H,2,11-13H2,1H3
InChIKeyIQADSPHYHHRVJE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds7

About 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol

2-ethoxy-6-[(2-phenylethylamino)methyl]phenol (PubChem CID 3043276) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(2-phenylethylamino)methyl]phenol
PubChem CID3043276
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-ethoxy-6-[(2-phenylethylamino)methyl]phenol
SMILESCCOc1cccc(CNCCc2ccccc2)c1O
InChIInChI=1S/C17H21NO2/c1-2-20-16-10-6-9-15(17(16)19)13-18-12-11-14-7-4-3-5-8-14/h3-10,18-19H,2,11-13H2,1H3
InChIKeyIQADSPHYHHRVJE-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

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4-(3-(Benzylamino)butyl)-2-methoxyphenol
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol (CID 3043276) is 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol is CCOc1cccc(CNCCc2ccccc2)c1O.
What is the InChIKey of 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol?
The InChIKey is IQADSPHYHHRVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-20-16-10-6-9-15(17(16)19)13-18-12-11-14-7-4-3-5-8-14/h3-10,18-19H,2,11-13H2,1H3.
What are the key properties of 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol?
2-ethoxy-6-[(2-phenylethylamino)methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2-phenylethylamino)methyl]phenol is sourced from PubChem (CID 3043276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).