2-[(2,3-dimethoxyphenyl)methylamino]ethanol

C11H17NO3 — CID 4717256

IUPAC2-[(2,3-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(CNCCO)c1OC
InChIInChI=1S/C11H17NO3/c1-14-10-5-3-4-9(11(10)15-2)8-12-6-7-13/h3-5,12-13H,6-8H2,1-2H3
InChIKeyIBZJURZOPHGTJF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.79
Rot. Bonds6

About 2-[(2,3-dimethoxyphenyl)methylamino]ethanol

2-[(2,3-dimethoxyphenyl)methylamino]ethanol (PubChem CID 4717256) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methylamino]ethanol
PubChem CID4717256
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(2,3-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(CNCCO)c1OC
InChIInChI=1S/C11H17NO3/c1-14-10-5-3-4-9(11(10)15-2)8-12-6-7-13/h3-5,12-13H,6-8H2,1-2H3
InChIKeyIBZJURZOPHGTJF-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.79
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

5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
CID 59317356
CID 59317356
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methylamino]ethanol (CID 4717256) is 2-[(2,3-dimethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methylamino]ethanol is COc1cccc(CNCCO)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methylamino]ethanol?
The InChIKey is IBZJURZOPHGTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-10-5-3-4-9(11(10)15-2)8-12-6-7-13/h3-5,12-13H,6-8H2,1-2H3.
What are the key properties of 2-[(2,3-dimethoxyphenyl)methylamino]ethanol?
2-[(2,3-dimethoxyphenyl)methylamino]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 4717256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).