1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine

C15H18N2O — CID 66404078

IUPAC1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C15H18N2O/c1-16-9-12-6-7-17(10-12)11-14-8-13-4-2-3-5-15(13)18-14/h2-7,10,14,16H,8-9,11H2,1H3
InChIKeyGDBNMVWDMXIYIW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66404078) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID66404078
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C15H18N2O/c1-16-9-12-6-7-17(10-12)11-14-8-13-4-2-3-5-15(13)18-14/h2-7,10,14,16H,8-9,11H2,1H3
InChIKeyGDBNMVWDMXIYIW-UHFFFAOYSA-N
XLogP2.21
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406529
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66399277
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79096943
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104785
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
CID 79099405
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylethanamine
CID 79984925
N-methyl-1-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]methanamine
CID 66404891
1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 104769097
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720600
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine (CID 66404078) is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine is CNCc1ccn(CC2Cc3ccccc3O2)c1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is GDBNMVWDMXIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-9-12-6-7-17(10-12)11-14-8-13-4-2-3-5-15(13)18-14/h2-7,10,14,16H,8-9,11H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66404078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).