2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol

C11H17NO3 — CID 102533880

IUPAC2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
SMILESCOCCOc1ccccc1C(O)CN
InChIInChI=1S/C11H17NO3/c1-14-6-7-15-11-5-3-2-4-9(11)10(13)8-12/h2-5,10,13H,6-8,12H2,1H3
InChIKeyZRRSTMAVIWVKTK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.70
Rot. Bonds6

About 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol

2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol (PubChem CID 102533880) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
PubChem CID102533880
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
SMILESCOCCOc1ccccc1C(O)CN
InChIInChI=1S/C11H17NO3/c1-14-6-7-15-11-5-3-2-4-9(11)10(13)8-12/h2-5,10,13H,6-8,12H2,1H3
InChIKeyZRRSTMAVIWVKTK-UHFFFAOYSA-N
XLogP0.70
TPSA64.71 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 ≤ 50.70
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

3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443551
2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104659576

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol (CID 102533880) is 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol is COCCOc1ccccc1C(O)CN.
What is the InChIKey of 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The InChIKey is ZRRSTMAVIWVKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-6-7-15-11-5-3-2-4-9(11)10(13)8-12/h2-5,10,13H,6-8,12H2,1H3.
What are the key properties of 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol?
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 102533880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).