1-[(2-methoxyphenyl)methyl-methylamino]ethanol

C11H17NO2 — CID 67668408

IUPAC1-[(2-methoxyphenyl)methyl-methylamino]ethanol
SMILESCOc1ccccc1CN(C)C(C)O
InChIInChI=1S/C11H17NO2/c1-9(13)12(2)8-10-6-4-5-7-11(10)14-3/h4-7,9,13H,8H2,1-3H3
InChIKeyVWDDVDYQLRWRTG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl-methylamino]ethanol

1-[(2-methoxyphenyl)methyl-methylamino]ethanol (PubChem CID 67668408) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl-methylamino]ethanol
PubChem CID67668408
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[(2-methoxyphenyl)methyl-methylamino]ethanol
SMILESCOc1ccccc1CN(C)C(C)O
InChIInChI=1S/C11H17NO2/c1-9(13)12(2)8-10-6-4-5-7-11(10)14-3/h4-7,9,13H,8H2,1-3H3
InChIKeyVWDDVDYQLRWRTG-UHFFFAOYSA-N
XLogP1.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
CID 79408377
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl-methylamino]ethanol?
The IUPAC name of 1-[(2-methoxyphenyl)methyl-methylamino]ethanol (CID 67668408) is 1-[(2-methoxyphenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl-methylamino]ethanol?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl-methylamino]ethanol is COc1ccccc1CN(C)C(C)O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl-methylamino]ethanol?
The InChIKey is VWDDVDYQLRWRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(13)12(2)8-10-6-4-5-7-11(10)14-3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl-methylamino]ethanol?
1-[(2-methoxyphenyl)methyl-methylamino]ethanol has a molecular weight of 195.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 67668408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).