2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine

C18H28N2O — CID 64507040

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H28N2O/c1-4-20-11-6-5-10-15(19)16(20)14-9-7-8-13-12-18(2,3)21-17(13)14/h7-9,15-16H,4-6,10-12,19H2,1-3H3
InChIKeyLPTKCBPDAXAELJ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.27
Rot. Bonds2

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine (PubChem CID 64507040) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
PubChem CID64507040
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H28N2O/c1-4-20-11-6-5-10-15(19)16(20)14-9-7-8-13-12-18(2,3)21-17(13)14/h7-9,15-16H,4-6,10-12,19H2,1-3H3
InChIKeyLPTKCBPDAXAELJ-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine 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-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine
CID 64508815
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584
2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
CID 114075962
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
CID 43095680
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79510725
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
CID 79879219
1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
CID 103348628
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
CID 64686696
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine (CID 64507040) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine is CCN1CCCCC(N)C1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine?
The InChIKey is LPTKCBPDAXAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-20-11-6-5-10-15(19)16(20)14-9-7-8-13-12-18(2,3)21-17(13)14/h7-9,15-16H,4-6,10-12,19H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine has a molecular weight of 288.43 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine is sourced from PubChem (CID 64507040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).