2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol

C16H19NO3 — CID 154291295

IUPAC2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol
SMILESCOc1cccc(OC)c1-c1cccc(CCO)c1N
InChIInChI=1S/C16H19NO3/c1-19-13-7-4-8-14(20-2)15(13)12-6-3-5-11(9-10-18)16(12)17/h3-8,18H,9-10,17H2,1-2H3
InChIKeyMZDGNGFIPRUHJF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.49
Rot. Bonds5

About 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol

2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol (PubChem CID 154291295) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol
PubChem CID154291295
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol
SMILESCOc1cccc(OC)c1-c1cccc(CCO)c1N
InChIInChI=1S/C16H19NO3/c1-19-13-7-4-8-14(20-2)15(13)12-6-3-5-11(9-10-18)16(12)17/h3-8,18H,9-10,17H2,1-2H3
InChIKeyMZDGNGFIPRUHJF-UHFFFAOYSA-N
XLogP2.49
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-3-(5-chloro-2-methoxyphenyl)phenyl]ethanol
CID 154393848
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
2-[2,3-bis(4-methoxy-3-methylphenyl)phenyl]ethanol
CID 173306019
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
2-[2-amino-3-(4-methylsulfanylphenyl)phenyl]ethanol
CID 154392985
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde
CID 154175509
2-(2-hydroxyethyl)-5-methoxynaphthalen-1-ol
CID 117310764
methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
CID 107713839
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol (CID 154291295) is 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol is COc1cccc(OC)c1-c1cccc(CCO)c1N.
What is the InChIKey of 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol?
The InChIKey is MZDGNGFIPRUHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-13-7-4-8-14(20-2)15(13)12-6-3-5-11(9-10-18)16(12)17/h3-8,18H,9-10,17H2,1-2H3.
What are the key properties of 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol?
2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol is sourced from PubChem (CID 154291295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).