[1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine

C15H20N2O — CID 82385556

IUPAC[1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine
SMILESCc1oc2cccc(N3CCC(CN)C3)c2c1C
InChIInChI=1S/C15H20N2O/c1-10-11(2)18-14-5-3-4-13(15(10)14)17-7-6-12(8-16)9-17/h3-5,12H,6-9,16H2,1-2H3
InChIKeyKKKJJVMYNMLMJL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.83
Rot. Bonds2

About [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine

[1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 82385556) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID82385556
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine
SMILESCc1oc2cccc(N3CCC(CN)C3)c2c1C
InChIInChI=1S/C15H20N2O/c1-10-11(2)18-14-5-3-4-13(15(10)14)17-7-6-12(8-16)9-17/h3-5,12H,6-9,16H2,1-2H3
InChIKeyKKKJJVMYNMLMJL-UHFFFAOYSA-N
XLogP2.83
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine
CID 82385550
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79044078
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
[1-(2-methyl-1,3-benzothiazol-4-yl)pyrrolidin-3-yl]methanamine
CID 82383711
[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
2-[3-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzonitrile
CID 62497841
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
2-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylbenzonitrile
CID 62306632
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine (CID 82385556) is [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine is Cc1oc2cccc(N3CCC(CN)C3)c2c1C.
What is the InChIKey of [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is KKKJJVMYNMLMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-11(2)18-14-5-3-4-13(15(10)14)17-7-6-12(8-16)9-17/h3-5,12H,6-9,16H2,1-2H3.
What are the key properties of [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine?
[1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82385556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).