1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol

C14H18ClNO2 — CID 114724598

IUPAC1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)(CN)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H18ClNO2/c1-13(2,3)14(17,8-16)12-7-9-6-10(15)4-5-11(9)18-12/h4-7,17H,8,16H2,1-3H3
InChIKeyWCFORTFFNWAEFS-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.28
Rot. Bonds2

About 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol

1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol (PubChem CID 114724598) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
PubChem CID114724598
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)(CN)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H18ClNO2/c1-13(2,3)14(17,8-16)12-7-9-6-10(15)4-5-11(9)18-12/h4-7,17H,8,16H2,1-3H3
InChIKeyWCFORTFFNWAEFS-UHFFFAOYSA-N
XLogP3.28
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
CID 114724604
3-amino-1-(5-chloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737160
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
CID 114724291
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735722
1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114723050
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol (CID 114724598) is 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)(CN)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is WCFORTFFNWAEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-13(2,3)14(17,8-16)12-7-9-6-10(15)4-5-11(9)18-12/h4-7,17H,8,16H2,1-3H3.
What are the key properties of 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol?
1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 267.76 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 114724598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).