N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

C16H19N3O — CID 82882297

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCc1oc2ccccc2c1CNCc1ccn(C)n1
InChIInChI=1S/C16H19N3O/c1-3-15-14(13-6-4-5-7-16(13)20-15)11-17-10-12-8-9-19(2)18-12/h4-9,17H,3,10-11H2,1-2H3
InChIKeyFZMDOTMUDWMZCU-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.02
Rot. Bonds5

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 82882297) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID82882297
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCc1oc2ccccc2c1CNCc1ccn(C)n1
InChIInChI=1S/C16H19N3O/c1-3-15-14(13-6-4-5-7-16(13)20-15)11-17-10-12-8-9-19(2)18-12/h4-9,17H,3,10-11H2,1-2H3
InChIKeyFZMDOTMUDWMZCU-UHFFFAOYSA-N
XLogP3.02
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79492984
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
CID 60669582
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332180
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 60902981
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95610730
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 82882297) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is CCc1oc2ccccc2c1CNCc1ccn(C)n1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is FZMDOTMUDWMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-15-14(13-6-4-5-7-16(13)20-15)11-17-10-12-8-9-19(2)18-12/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 269.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 82882297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).