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

C15H19N3O — CID 82876393

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1Cc2ccccc2O1
InChIInChI=1S/C15H19N3O/c1-16-13(10-12-7-8-18(2)17-12)15-9-11-5-3-4-6-14(11)19-15/h3-8,13,15-16H,9-10H2,1-2H3
InChIKeyMMQDSIZZMPONCR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.55
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876393) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876393
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1Cc2ccccc2O1
InChIInChI=1S/C15H19N3O/c1-16-13(10-12-7-8-18(2)17-12)15-9-11-5-3-4-6-14(11)19-15/h3-8,13,15-16H,9-10H2,1-2H3
InChIKeyMMQDSIZZMPONCR-UHFFFAOYSA-N
XLogP1.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877542
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643567
N-methyl-1-(4-methylmorpholin-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877393
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012035
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025251
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105263048
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105263051
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878113
1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876253
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048079
1-(1,1-dioxothian-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025549

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876393) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is MMQDSIZZMPONCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-13(10-12-7-8-18(2)17-12)15-9-11-5-3-4-6-14(11)19-15/h3-8,13,15-16H,9-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.55, 4 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-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).