2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone

C14H17NO2 — CID 84694595

IUPAC2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc(C(C)C)c2oc(C(=O)CN)cc12
InChIInChI=1S/C14H17NO2/c1-8(2)10-5-4-9(3)11-6-13(12(16)7-15)17-14(10)11/h4-6,8H,7,15H2,1-3H3
InChIKeyRFSYAEGIUYOFKN-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.01
Rot. Bonds3

About 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone

2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone (PubChem CID 84694595) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone
PubChem CID84694595
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc(C(C)C)c2oc(C(=O)CN)cc12
InChIInChI=1S/C14H17NO2/c1-8(2)10-5-4-9(3)11-6-13(12(16)7-15)17-14(10)11/h4-6,8H,7,15H2,1-3H3
InChIKeyRFSYAEGIUYOFKN-UHFFFAOYSA-N
XLogP3.01
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone
CID 65428215
1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one
CID 65428423
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
CID 65427273
N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440443
(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 81049235
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
2-amino-3-(2-methoxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 117381633
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
2-amino-1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)ethanone
CID 117461159
4-propan-2-yl-1-benzofuran-2-carboxamide
CID 155602033
2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone
CID 83845172
7-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 82372668

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone (CID 84694595) is 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone is Cc1ccc(C(C)C)c2oc(C(=O)CN)cc12.
What is the InChIKey of 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone?
The InChIKey is RFSYAEGIUYOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8(2)10-5-4-9(3)11-6-13(12(16)7-15)17-14(10)11/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone?
2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 84694595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).