2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol

C13H21NO3 — CID 115655699

IUPAC2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
SMILESCCOC(C)CNCc1cccc(OC)c1O
InChIInChI=1S/C13H21NO3/c1-4-17-10(2)8-14-9-11-6-5-7-12(16-3)13(11)15/h5-7,10,14-15H,4,8-9H2,1-3H3
InChIKeyYWYBKUXKOODJEA-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.92
Rot. Bonds7

About 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol

2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol (PubChem CID 115655699) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
PubChem CID115655699
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
SMILESCCOC(C)CNCc1cccc(OC)c1O
InChIInChI=1S/C13H21NO3/c1-4-17-10(2)8-14-9-11-6-5-7-12(16-3)13(11)15/h5-7,10,14-15H,4,8-9H2,1-3H3
InChIKeyYWYBKUXKOODJEA-UHFFFAOYSA-N
XLogP1.92
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.92
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

2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
CID 115764164
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916438
2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
CID 113477259
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
CID 107267707
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 10612980

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol (CID 115655699) is 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol is CCOC(C)CNCc1cccc(OC)c1O.
What is the InChIKey of 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol?
The InChIKey is YWYBKUXKOODJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-17-10(2)8-14-9-11-6-5-7-12(16-3)13(11)15/h5-7,10,14-15H,4,8-9H2,1-3H3.
What are the key properties of 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol?
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 115655699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).