1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine

C14H15N3O — CID 114745069

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cccc2c1OCC2
InChIInChI=1S/C14H15N3O/c1-15-12(14-16-7-3-8-17-14)11-5-2-4-10-6-9-18-13(10)11/h2-5,7-8,12,15H,6,9H2,1H3
InChIKeyPBFPMPCVMPILFO-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.72
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 114745069) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID114745069
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cccc2c1OCC2
InChIInChI=1S/C14H15N3O/c1-15-12(14-16-7-3-8-17-14)11-5-2-4-10-6-9-18-13(10)11/h2-5,7-8,12,15H,6,9H2,1H3
InChIKeyPBFPMPCVMPILFO-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 114745170
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105189432
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 114745074
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105189498
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
4-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189461
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114745874
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105189321
3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189391

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 114745069) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine is CNC(c1ncccn1)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is PBFPMPCVMPILFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-12(14-16-7-3-8-17-14)11-5-2-4-10-6-9-18-13(10)11/h2-5,7-8,12,15H,6,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 241.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 114745069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).