2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one

C13H17NO2 — CID 84786834

IUPAC2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)N)cc2c1OC(C)C2
InChIInChI=1S/C13H17NO2/c1-7-4-10(12(15)9(3)14)6-11-5-8(2)16-13(7)11/h4,6,8-9H,5,14H2,1-3H3
InChIKeyRHOFPGWWGDNJMS-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one

2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one (PubChem CID 84786834) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
PubChem CID84786834
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)N)cc2c1OC(C)C2
InChIInChI=1S/C13H17NO2/c1-7-4-10(12(15)9(3)14)6-11-5-8(2)16-13(7)11/h4,6,8-9H,5,14H2,1-3H3
InChIKeyRHOFPGWWGDNJMS-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 83832234
3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 84788053
(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 86718009
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 146610837
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949
2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine
CID 115010472
2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 83898948
7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 69177692
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one (CID 84786834) is 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one is Cc1cc(C(=O)C(C)N)cc2c1OC(C)C2.
What is the InChIKey of 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The InChIKey is RHOFPGWWGDNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-7-4-10(12(15)9(3)14)6-11-5-8(2)16-13(7)11/h4,6,8-9H,5,14H2,1-3H3.
What are the key properties of 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one is sourced from PubChem (CID 84786834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).