1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C17H25N3O — CID 62888364

IUPAC1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1oc2ccccc2c1CN
InChIInChI=1S/C17H25N3O/c1-19(2)11-13-6-5-9-20(13)12-17-15(10-18)14-7-3-4-8-16(14)21-17/h3-4,7-8,13H,5-6,9-12,18H2,1-2H3
InChIKeySLOQWIQHFYYIEC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.42
Rot. Bonds5

About 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62888364) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62888364
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1oc2ccccc2c1CN
InChIInChI=1S/C17H25N3O/c1-19(2)11-13-6-5-9-20(13)12-17-15(10-18)14-7-3-4-8-16(14)21-17/h3-4,7-8,13H,5-6,9-12,18H2,1-2H3
InChIKeySLOQWIQHFYYIEC-UHFFFAOYSA-N
XLogP2.42
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine 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-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62438605
[2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62417858
[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine
CID 106589409
[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 63217954
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
CID 63330937
1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128528
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
1-[1-[4-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888014
[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62434570

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62888364) is 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1Cc1oc2ccccc2c1CN.
What is the InChIKey of 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SLOQWIQHFYYIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(2)11-13-6-5-9-20(13)12-17-15(10-18)14-7-3-4-8-16(14)21-17/h3-4,7-8,13H,5-6,9-12,18H2,1-2H3.
What are the key properties of 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62888364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).