1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C16H21N3O — CID 103030944

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21N3O/c1-17-15(5-4-14-7-9-18-19(14)2)12-3-6-16-13(11-12)8-10-20-16/h3,6-7,9,11,15,17H,4-5,8,10H2,1-2H3
InChIKeyXFEPHZHXPKNCQM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030944) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030944
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21N3O/c1-17-15(5-4-14-7-9-18-19(14)2)12-3-6-16-13(11-12)8-10-20-16/h3,6-7,9,11,15,17H,4-5,8,10H2,1-2H3
InChIKeyXFEPHZHXPKNCQM-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997578
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 65446546
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030944) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is XFEPHZHXPKNCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-15(5-4-14-7-9-18-19(14)2)12-3-6-16-13(11-12)8-10-20-16/h3,6-7,9,11,15,17H,4-5,8,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).