N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine

C16H21N3O — CID 102804629

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)nc1C)c1cccc2c1OCC2
InChIInChI=1S/C16H21N3O/c1-4-17-15(14-10-19(3)18-11(14)2)13-7-5-6-12-8-9-20-16(12)13/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyLNEHFLRSTRJMDH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 102804629) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID102804629
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)nc1C)c1cccc2c1OCC2
InChIInChI=1S/C16H21N3O/c1-4-17-15(14-10-19(3)18-11(14)2)13-7-5-6-12-8-9-20-16(12)13/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyLNEHFLRSTRJMDH-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105189348
N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105189397
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492
N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105189478
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
CID 114745900
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine (CID 102804629) is N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cn(C)nc1C)c1cccc2c1OCC2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is LNEHFLRSTRJMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-15(14-10-19(3)18-11(14)2)13-7-5-6-12-8-9-20-16(12)13/h5-7,10,15,17H,4,8-9H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.36, 4 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-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 102804629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).