1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine

C14H14ClN3O — CID 106692425

IUPAC1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CC(N)c2ccoc2Cl)c2ccccc21
InChIInChI=1S/C14H14ClN3O/c1-18-13-5-3-2-4-10(13)12(17-18)8-11(16)9-6-7-19-14(9)15/h2-7,11H,8,16H2,1H3
InChIKeyXEFHMQCFPHLIKX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine

1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine (PubChem CID 106692425) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
PubChem CID106692425
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CC(N)c2ccoc2Cl)c2ccccc21
InChIInChI=1S/C14H14ClN3O/c1-18-13-5-3-2-4-10(13)12(17-18)8-11(16)9-6-7-19-14(9)15/h2-7,11H,8,16H2,1H3
InChIKeyXEFHMQCFPHLIKX-UHFFFAOYSA-N
XLogP3.06
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorofuran-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 106692423
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107968554
1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685
2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923576
1-(3-methylfuran-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 104800718
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 106691110
2-(1-methylindazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105161433
3-[3-chloro-2-(2-chlorophenyl)propyl]-1-methylindazole
CID 79437567
1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
CID 115815135
3-[3-chloro-2-(2-methylphenyl)propyl]-1-methylindazole
CID 79424447
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine (CID 106692425) is 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine is Cn1nc(CC(N)c2ccoc2Cl)c2ccccc21.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
The InChIKey is XEFHMQCFPHLIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18-13-5-3-2-4-10(13)12(17-18)8-11(16)9-6-7-19-14(9)15/h2-7,11H,8,16H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine has a molecular weight of 275.74 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 106692425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).