2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one

C12H14ClNO2 — CID 96590483

IUPAC2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)c1cc2c(cc1Cl)OCC2
InChIInChI=1S/C12H14ClNO2/c1-12(2,14)11(15)8-5-7-3-4-16-10(7)6-9(8)13/h5-6H,3-4,14H2,1-2H3
InChIKeyJJGZYQUYCPSSOQ-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.19
Rot. Bonds2

About 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one

2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one (PubChem CID 96590483) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one
PubChem CID96590483
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)c1cc2c(cc1Cl)OCC2
InChIInChI=1S/C12H14ClNO2/c1-12(2,14)11(15)8-5-7-3-4-16-10(7)6-9(8)13/h5-6H,3-4,14H2,1-2H3
InChIKeyJJGZYQUYCPSSOQ-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)methyl-hydroxyamino]-2,2-dimethyl-3-oxopropanoic acid
CID 177043559
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-one
CID 116560166
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
6-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl chloride
CID 82632082
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
CID 117284367
ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
CID 145375645
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160534
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one (CID 96590483) is 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one is CC(C)(N)C(=O)c1cc2c(cc1Cl)OCC2.
What is the InChIKey of 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one?
The InChIKey is JJGZYQUYCPSSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(2,14)11(15)8-5-7-3-4-16-10(7)6-9(8)13/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one?
2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one has a molecular weight of 239.70 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 96590483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).