2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine

C15H19N3O — CID 106701041

IUPAC2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCn1cc(CNC2c3ccccc3OC2(C)C)cn1
InChIInChI=1S/C15H19N3O/c1-15(2)14(12-6-4-5-7-13(12)19-15)16-8-11-9-17-18(3)10-11/h4-7,9-10,14,16H,8H2,1-3H3
InChIKeyBAKAFWNTGTUSQE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.42
Rot. Bonds3

About 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine

2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine (PubChem CID 106701041) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
PubChem CID106701041
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCn1cc(CNC2c3ccccc3OC2(C)C)cn1
InChIInChI=1S/C15H19N3O/c1-15(2)14(12-6-4-5-7-13(12)19-15)16-8-11-9-17-18(3)10-11/h4-7,9-10,14,16H,8H2,1-3H3
InChIKeyBAKAFWNTGTUSQE-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106701281
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701083
N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701067
N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
CID 102951612
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701037
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 115618954
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-[(1-methylpyrazol-4-yl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61348494
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine (CID 106701041) is 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine is Cn1cc(CNC2c3ccccc3OC2(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
The InChIKey is BAKAFWNTGTUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)14(12-6-4-5-7-13(12)19-15)16-8-11-9-17-18(3)10-11/h4-7,9-10,14,16H,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).