2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine

C15H18ClN3O — CID 105178427

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Cl)cc3c2OCC3)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-9-5-14(19(2)18-9)13(17)8-11-7-12(16)6-10-3-4-20-15(10)11/h5-7,13H,3-4,8,17H2,1-2H3
InChIKeySSDQPMWROVWRIQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.56
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 105178427) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID105178427
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Cl)cc3c2OCC3)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-9-5-14(19(2)18-9)13(17)8-11-7-12(16)6-10-3-4-20-15(10)11/h5-7,13H,3-4,8,17H2,1-2H3
InChIKeySSDQPMWROVWRIQ-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105178387
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 105031528
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105031533
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
CID 104845232
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-thiophen-3-ylethanamine
CID 113403542
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968958

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine (CID 105178427) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine is Cc1cc(C(N)Cc2cc(Cl)cc3c2OCC3)n(C)n1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is SSDQPMWROVWRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-5-14(19(2)18-9)13(17)8-11-7-12(16)6-10-3-4-20-15(10)11/h5-7,13H,3-4,8,17H2,1-2H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105178427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).