1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

C15H17N3O — CID 82876336

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cc2ccccc2o1
InChIInChI=1S/C15H17N3O/c1-16-13(10-12-7-8-18(2)17-12)15-9-11-5-3-4-6-14(11)19-15/h3-9,13,16H,10H2,1-2H3
InChIKeyCLAAFSLNSSSIBV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.67
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876336) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876336
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cc2ccccc2o1
InChIInChI=1S/C15H17N3O/c1-16-13(10-12-7-8-18(2)17-12)15-9-11-5-3-4-6-14(11)19-15/h3-9,13,16H,10H2,1-2H3
InChIKeyCLAAFSLNSSSIBV-UHFFFAOYSA-N
XLogP2.67
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643022
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175123
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729081
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037
1-(1-benzofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methylethanamine
CID 64626414
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876336) is 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is CLAAFSLNSSSIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-13(10-12-7-8-18(2)17-12)15-9-11-5-3-4-6-14(11)19-15/h3-9,13,16H,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).