1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine

C16H24N2O — CID 115299994

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C16H24N2O/c1-16(2)9-12-5-4-6-13(15(12)19-16)10-18-8-7-14(11-18)17-3/h4-6,14,17H,7-11H2,1-3H3
InChIKeyZCIUJHPWZXJMNA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 115299994) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID115299994
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C16H24N2O/c1-16(2)9-12-5-4-6-13(15(12)19-16)10-18-8-7-14(11-18)17-3/h4-6,14,17H,7-11H2,1-3H3
InChIKeyZCIUJHPWZXJMNA-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-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

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
CID 79879219
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728
1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 126769654
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 126777889
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thian-4-amine
CID 115641639

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine (CID 115299994) is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2cccc3c2OC(C)(C)C3)C1.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is ZCIUJHPWZXJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)9-12-5-4-6-13(15(12)19-16)10-18-8-7-14(11-18)17-3/h4-6,14,17H,7-11H2,1-3H3.
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115299994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).