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

C16H21N3O — CID 103012035

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)C1Cc2ccccc2O1
InChIInChI=1S/C16H21N3O/c1-17-14(8-7-13-9-10-18-19(13)2)16-11-12-5-3-4-6-15(12)20-16/h3-6,9-10,14,16-17H,7-8,11H2,1-2H3
InChIKeyALJRLYIWPQYEHU-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.94
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103012035) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103012035
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)C1Cc2ccccc2O1
InChIInChI=1S/C16H21N3O/c1-17-14(8-7-13-9-10-18-19(13)2)16-11-12-5-3-4-6-15(12)20-16/h3-6,9-10,14,16-17H,7-8,11H2,1-2H3
InChIKeyALJRLYIWPQYEHU-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025971
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010593
1-(4-tert-butylcyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010665
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876393
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643567
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900
N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529846
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105263048
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105263051

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103012035) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is ALJRLYIWPQYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-14(8-7-13-9-10-18-19(13)2)16-11-12-5-3-4-6-15(12)20-16/h3-6,9-10,14,16-17H,7-8,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 1.94, 5 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-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103012035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).