2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol

C16H19NO3 — CID 116809834

IUPAC2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
SMILESCOc1cccc(OC)c1C(O)(CN)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-13-9-6-10-14(20-2)15(13)16(18,11-17)12-7-4-3-5-8-12/h3-10,18H,11,17H2,1-2H3
InChIKeyXPDNKGAWWPZJFU-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.90
Rot. Bonds5

About 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol

2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol (PubChem CID 116809834) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
PubChem CID116809834
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
SMILESCOc1cccc(OC)c1C(O)(CN)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-13-9-6-10-14(20-2)15(13)16(18,11-17)12-7-4-3-5-8-12/h3-10,18H,11,17H2,1-2H3
InChIKeyXPDNKGAWWPZJFU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465566
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
CID 116809832
3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol
CID 69398907
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
3-(2,6-dimethoxyphenyl)pentan-3-amine
CID 116809908
1-amino-2-(2-methoxyphenoxy)propan-2-ol
CID 21327365
CID 134904157
CID 134904157
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
2-amino-1-hydroperoxy-1-phenylethanol
CID 87472003
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol?
The IUPAC name of 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol (CID 116809834) is 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol.
What is the SMILES notation for 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol?
The canonical SMILES for 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol is COc1cccc(OC)c1C(O)(CN)c1ccccc1.
What is the InChIKey of 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol?
The InChIKey is XPDNKGAWWPZJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-13-9-6-10-14(20-2)15(13)16(18,11-17)12-7-4-3-5-8-12/h3-10,18H,11,17H2,1-2H3.
What are the key properties of 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol?
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol has a molecular weight of 273.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 116809834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).