N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine

C13H16N2O — CID 115118778

IUPACN-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
SMILESCN(c1coc2ccccc12)C1CCNC1
InChIInChI=1S/C13H16N2O/c1-15(10-6-7-14-8-10)12-9-16-13-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyWQJZWFSPCNLVCG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.23
Rot. Bonds2

About N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine

N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine (PubChem CID 115118778) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
PubChem CID115118778
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
SMILESCN(c1coc2ccccc12)C1CCNC1
InChIInChI=1S/C13H16N2O/c1-15(10-6-7-14-8-10)12-9-16-13-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyWQJZWFSPCNLVCG-UHFFFAOYSA-N
XLogP2.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
CID 63301799
N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,2-benzothiazol-3-amine;hydrochloride
CID 71641030
N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
CID 71641425
N-methyl-N-naphthalen-1-ylpiperidin-4-amine
CID 57088493
N-(2,4-dimethylphenyl)-N-methylpyrrolidin-3-amine
CID 78989080
N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 106627688
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550456
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine (CID 115118778) is N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine is CN(c1coc2ccccc12)C1CCNC1.
What is the InChIKey of N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is WQJZWFSPCNLVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15(10-6-7-14-8-10)12-9-16-13-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine?
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 216.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115118778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).