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

C16H21N3O — CID 105189348

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1cc(C)nn1C
InChIInChI=1S/C16H21N3O/c1-4-17-15(14-10-11(2)18-19(14)3)13-7-5-6-12-8-9-20-16(12)13/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyPJPNQQISVKIAQU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds4

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

N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105189348) 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-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
PubChem CID105189348
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1cc(C)nn1C
InChIInChI=1S/C16H21N3O/c1-4-17-15(14-10-11(2)18-19(14)3)13-7-5-6-12-8-9-20-16(12)13/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyPJPNQQISVKIAQU-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-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105189478
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
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105189437
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105180121
N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105189397
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
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-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (CID 105189348) is N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cccc2c1OCC2)c1cc(C)nn1C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is PJPNQQISVKIAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-15(14-10-11(2)18-19(14)3)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-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105189348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).