2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol

C16H14ClNO2 — CID 114724604

IUPAC2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
SMILESNCC(O)(c1ccccc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H14ClNO2/c17-13-6-7-14-11(8-13)9-15(20-14)16(19,10-18)12-4-2-1-3-5-12/h1-9,19H,10,18H2
InChIKeyXMYZWTPEYFCUHD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.28
Rot. Bonds3

About 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol

2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol (PubChem CID 114724604) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
PubChem CID114724604
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
SMILESNCC(O)(c1ccccc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H14ClNO2/c17-13-6-7-14-11(8-13)9-15(20-14)16(19,10-18)12-4-2-1-3-5-12/h1-9,19H,10,18H2
InChIKeyXMYZWTPEYFCUHD-UHFFFAOYSA-N
XLogP3.28
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
CID 114724598
3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
CID 114724921
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
CID 114724291
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114723050
3-(5-chloro-1-benzofuran-2-yl)-1-phenylbut-3-en-1-amine
CID 57296917
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
3-amino-1-(5-chloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737160
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol?
The IUPAC name of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol (CID 114724604) is 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol.
What is the SMILES notation for 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol?
The canonical SMILES for 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol is NCC(O)(c1ccccc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol?
The InChIKey is XMYZWTPEYFCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-6-7-14-11(8-13)9-15(20-14)16(19,10-18)12-4-2-1-3-5-12/h1-9,19H,10,18H2.
What are the key properties of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol?
2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol has a molecular weight of 287.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol is sourced from PubChem (CID 114724604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).