1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C14H17N3O — CID 43485900

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)C1Cc2ccccc2O1
InChIInChI=1S/C14H17N3O/c1-15-14(11-8-16-17(2)9-11)13-7-10-5-3-4-6-12(10)18-13/h3-6,8-9,13-15H,7H2,1-2H3
InChIKeyPMBXDTOYWHJGPT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.68
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 43485900) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID43485900
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)C1Cc2ccccc2O1
InChIInChI=1S/C14H17N3O/c1-15-14(11-8-16-17(2)9-11)13-7-10-5-3-4-6-12(10)18-13/h3-6,8-9,13-15H,7H2,1-2H3
InChIKeyPMBXDTOYWHJGPT-UHFFFAOYSA-N
XLogP1.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65409933
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43625337
1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 43481050
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484908
[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262979
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652111
1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 79746928
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114660019
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483195
2,3-dihydro-1,4-benzodioxin-3-yl-(1-methylpyrazol-4-yl)methanamine
CID 43124178
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516055

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 43485900) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNC(c1cnn(C)c1)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is PMBXDTOYWHJGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-14(11-8-16-17(2)9-11)13-7-10-5-3-4-6-12(10)18-13/h3-6,8-9,13-15H,7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.68, 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-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43485900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).