[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C17H24N2O — CID 120780711

IUPAC[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1cc2cc(CN3CCC(C)(CN)C3)oc2cc1C
InChIInChI=1S/C17H24N2O/c1-12-6-14-8-15(20-16(14)7-13(12)2)9-19-5-4-17(3,10-18)11-19/h6-8H,4-5,9-11,18H2,1-3H3
InChIKeyCVOIKPGEXLMFHY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds3

About [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120780711) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120780711
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1cc2cc(CN3CCC(C)(CN)C3)oc2cc1C
InChIInChI=1S/C17H24N2O/c1-12-6-14-8-15(20-16(14)7-13(12)2)9-19-5-4-17(3,10-18)11-19/h6-8H,4-5,9-11,18H2,1-3H3
InChIKeyCVOIKPGEXLMFHY-UHFFFAOYSA-N
XLogP3.22
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine 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-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780518
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967309
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223
[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819
[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120846916
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660

Frequently Asked Questions

What is the IUPAC name of [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120780711) is [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is Cc1cc2cc(CN3CCC(C)(CN)C3)oc2cc1C.
What is the InChIKey of [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is CVOIKPGEXLMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-6-14-8-15(20-16(14)7-13(12)2)9-19-5-4-17(3,10-18)11-19/h6-8H,4-5,9-11,18H2,1-3H3.
What are the key properties of [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120780711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).