2-[[3-(methoxymethyl)phenyl]methylamino]ethanol

C11H17NO2 — CID 61004164

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
SMILESCOCc1cccc(CNCCO)c1
InChIInChI=1S/C11H17NO2/c1-14-9-11-4-2-3-10(7-11)8-12-5-6-13/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyXXYIYHRZXHSUNQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.91
Rot. Bonds6

About 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol

2-[[3-(methoxymethyl)phenyl]methylamino]ethanol (PubChem CID 61004164) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
PubChem CID61004164
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
SMILESCOCc1cccc(CNCCO)c1
InChIInChI=1S/C11H17NO2/c1-14-9-11-4-2-3-10(7-11)8-12-5-6-13/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyXXYIYHRZXHSUNQ-UHFFFAOYSA-N
XLogP0.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[3-(methoxymethyl)phenyl]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

3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-[[3-(methoxymethyl)phenyl]methyl]-2-methylsulfinylethanamine
CID 115654099
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
CID 54896362
2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 103081000
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol (CID 61004164) is 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol is COCc1cccc(CNCCO)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol?
The InChIKey is XXYIYHRZXHSUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-9-11-4-2-3-10(7-11)8-12-5-6-13/h2-4,7,12-13H,5-6,8-9H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol?
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol has a molecular weight of 195.26 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]ethanol is sourced from PubChem (CID 61004164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).