[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine

C16H22N2O — CID 63217954

IUPAC[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCC1(C)CCCN1Cc1oc2ccccc2c1CN
InChIInChI=1S/C16H22N2O/c1-16(2)8-5-9-18(16)11-15-13(10-17)12-6-3-4-7-14(12)19-15/h3-4,6-7H,5,8-11,17H2,1-2H3
InChIKeyQYSURCUIHLCCRQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.27
Rot. Bonds3

About [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine

[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 63217954) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID63217954
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCC1(C)CCCN1Cc1oc2ccccc2c1CN
InChIInChI=1S/C16H22N2O/c1-16(2)8-5-9-18(16)11-15-13(10-17)12-6-3-4-7-14(12)19-15/h3-4,6-7H,5,8-11,17H2,1-2H3
InChIKeyQYSURCUIHLCCRQ-UHFFFAOYSA-N
XLogP3.27
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine (CID 63217954) is [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine is CC1(C)CCCN1Cc1oc2ccccc2c1CN.
What is the InChIKey of [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is QYSURCUIHLCCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2)8-5-9-18(16)11-15-13(10-17)12-6-3-4-7-14(12)19-15/h3-4,6-7H,5,8-11,17H2,1-2H3.
What are the key properties of [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 63217954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).