3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline

C16H16FN3O — CID 71913358

IUPAC3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline
SMILESFCCOc1cccc(NCc2cccc3cn[nH]c23)c1
InChIInChI=1S/C16H16FN3O/c17-7-8-21-15-6-2-5-14(9-15)18-10-12-3-1-4-13-11-19-20-16(12)13/h1-6,9,11,18H,7-8,10H2,(H,19,20)
InChIKeyNXYSDFYQOXTQPE-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.52
Rot. Bonds6

About 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline

3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline (PubChem CID 71913358) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline
PubChem CID71913358
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline
SMILESFCCOc1cccc(NCc2cccc3cn[nH]c23)c1
InChIInChI=1S/C16H16FN3O/c17-7-8-21-15-6-2-5-14(9-15)18-10-12-3-1-4-13-11-19-20-16(12)13/h1-6,9,11,18H,7-8,10H2,(H,19,20)
InChIKeyNXYSDFYQOXTQPE-UHFFFAOYSA-N
XLogP3.52
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

AL-38022A
CID 12985378
Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 162643463
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45268412
6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645466
6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645467
6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645468
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine
CID 91800726
N-[1-(3-Ethoxybenzyl)piperidin-3-yl]-1H-indazol-5-amine
CID 57446057
2H-Indazole, 2-(3-methoxyphenyl)-
CID 3067342

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline?
The IUPAC name of 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline (CID 71913358) is 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline.
What is the SMILES notation for 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline?
The canonical SMILES for 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline is FCCOc1cccc(NCc2cccc3cn[nH]c23)c1.
What is the InChIKey of 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline?
The InChIKey is NXYSDFYQOXTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-7-8-21-15-6-2-5-14(9-15)18-10-12-3-1-4-13-11-19-20-16(12)13/h1-6,9,11,18H,7-8,10H2,(H,19,20).
What are the key properties of 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline?
3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline has a molecular weight of 285.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline is sourced from PubChem (CID 71913358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).