1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C17H23N3O — CID 105189342

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1C)c1cccc2c1OCC2
InChIInChI=1S/C17H23N3O/c1-11-15(12(2)20(4)19-11)10-16(18-3)14-7-5-6-13-8-9-21-17(13)14/h5-7,16,18H,8-10H2,1-4H3
InChIKeyCMRLGCQLVNCJRB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105189342) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105189342
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1C)c1cccc2c1OCC2
InChIInChI=1S/C17H23N3O/c1-11-15(12(2)20(4)19-11)10-16(18-3)14-7-5-6-13-8-9-21-17(13)14/h5-7,16,18H,8-10H2,1-4H3
InChIKeyCMRLGCQLVNCJRB-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026295
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187282
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114745237
N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105189348
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105180268
2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
CID 114744945
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216476

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105189342) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CNC(Cc1c(C)nn(C)c1C)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is CMRLGCQLVNCJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-15(12(2)20(4)19-11)10-16(18-3)14-7-5-6-13-8-9-21-17(13)14/h5-7,16,18H,8-10H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.48, 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-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105189342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).