N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

C17H23N3O — CID 105189478

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1cc(CC)nn1C
InChIInChI=1S/C17H23N3O/c1-4-13-11-15(20(3)19-13)16(18-5-2)14-8-6-7-12-9-10-21-17(12)14/h6-8,11,16,18H,4-5,9-10H2,1-3H3
InChIKeyZEUXNTPGUUKADP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.62
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105189478) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID105189478
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1cc(CC)nn1C
InChIInChI=1S/C17H23N3O/c1-4-13-11-15(20(3)19-13)16(18-5-2)14-8-6-7-12-9-10-21-17(12)14/h6-8,11,16,18H,4-5,9-10H2,1-3H3
InChIKeyZEUXNTPGUUKADP-UHFFFAOYSA-N
XLogP2.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105189348
N-[2,3-dihydro-1-benzofuran-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105189441
N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804629
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105189397
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492
N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
CID 114745900
N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 105189422

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (CID 105189478) is N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1cccc2c1OCC2)c1cc(CC)nn1C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is ZEUXNTPGUUKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-13-11-15(20(3)19-13)16(18-5-2)14-8-6-7-12-9-10-21-17(12)14/h6-8,11,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105189478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).