2-[(2,6-dimethoxyphenyl)methylamino]ethanol

C11H17NO3 — CID 82673406

IUPAC2-[(2,6-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(OC)c1CNCCO
InChIInChI=1S/C11H17NO3/c1-14-10-4-3-5-11(15-2)9(10)8-12-6-7-13/h3-5,12-13H,6-8H2,1-2H3
InChIKeyPKSNAFBHZZWUKV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.79
Rot. Bonds6

About 2-[(2,6-dimethoxyphenyl)methylamino]ethanol

2-[(2,6-dimethoxyphenyl)methylamino]ethanol (PubChem CID 82673406) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenyl)methylamino]ethanol
PubChem CID82673406
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(2,6-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(OC)c1CNCCO
InChIInChI=1S/C11H17NO3/c1-14-10-4-3-5-11(15-2)9(10)8-12-6-7-13/h3-5,12-13H,6-8H2,1-2H3
InChIKeyPKSNAFBHZZWUKV-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'}

Analyze 2-[(2,6-dimethoxyphenyl)methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115407135
N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
CID 171934444
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375
2-[(3-methoxythiophen-2-yl)methylamino]ethanol
CID 115710462
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2,6-dimethoxyphenyl)methylamino]ethanol (CID 82673406) is 2-[(2,6-dimethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2,6-dimethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2,6-dimethoxyphenyl)methylamino]ethanol is COc1cccc(OC)c1CNCCO.
What is the InChIKey of 2-[(2,6-dimethoxyphenyl)methylamino]ethanol?
The InChIKey is PKSNAFBHZZWUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-10-4-3-5-11(15-2)9(10)8-12-6-7-13/h3-5,12-13H,6-8H2,1-2H3.
What are the key properties of 2-[(2,6-dimethoxyphenyl)methylamino]ethanol?
2-[(2,6-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-[(2,6-dimethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 82673406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).