3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol

C12H19NO3 — CID 104658969

IUPAC3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
SMILESCOCCOc1ccccc1C(O)CCN
InChIInChI=1S/C12H19NO3/c1-15-8-9-16-12-5-3-2-4-10(12)11(14)6-7-13/h2-5,11,14H,6-9,13H2,1H3
InChIKeyYEZHECWEJBRYIU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.09
Rot. Bonds7

About 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol

3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol (PubChem CID 104658969) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
PubChem CID104658969
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
SMILESCOCCOc1ccccc1C(O)CCN
InChIInChI=1S/C12H19NO3/c1-15-8-9-16-12-5-3-2-4-10(12)11(14)6-7-13/h2-5,11,14H,6-9,13H2,1H3
InChIKeyYEZHECWEJBRYIU-UHFFFAOYSA-N
XLogP1.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.09
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

2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104659576
1-[2-(2-methoxyethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 104659510
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol
CID 23779044

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol (CID 104658969) is 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol is COCCOc1ccccc1C(O)CCN.
What is the InChIKey of 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol?
The InChIKey is YEZHECWEJBRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-8-9-16-12-5-3-2-4-10(12)11(14)6-7-13/h2-5,11,14H,6-9,13H2,1H3.
What are the key properties of 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol?
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 104658969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).