2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol

C13H21NO3 — CID 29225754

IUPAC2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
SMILESCCCOc1ccc(CNCCO)cc1OC
InChIInChI=1S/C13H21NO3/c1-3-8-17-12-5-4-11(9-13(12)16-2)10-14-6-7-15/h4-5,9,14-15H,3,6-8,10H2,1-2H3
InChIKeyWQDTZVHDGRKZRE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.57
Rot. Bonds8

About 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol

2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol (PubChem CID 29225754) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
PubChem CID29225754
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
SMILESCCCOc1ccc(CNCCO)cc1OC
InChIInChI=1S/C13H21NO3/c1-3-8-17-12-5-4-11(9-13(12)16-2)10-14-6-7-15/h4-5,9,14-15H,3,6-8,10H2,1-2H3
InChIKeyWQDTZVHDGRKZRE-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
CID 17333168
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
2-[4-[(3-butoxypropylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17207962
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol (CID 29225754) is 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol is CCCOc1ccc(CNCCO)cc1OC.
What is the InChIKey of 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol?
The InChIKey is WQDTZVHDGRKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-8-17-12-5-4-11(9-13(12)16-2)10-14-6-7-15/h4-5,9,14-15H,3,6-8,10H2,1-2H3.
What are the key properties of 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol?
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 29225754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).