N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine

C26H25FN2 — CID 123794883

IUPACN-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine
SMILESCCc1ccc2[nH]cc(CC/N=C(\C)c3cccc(-c4ccccc4F)c3)c2c1
InChIInChI=1S/C26H25FN2/c1-3-19-11-12-26-24(15-19)22(17-29-26)13-14-28-18(2)20-7-6-8-21(16-20)23-9-4-5-10-25(23)27/h4-12,15-17,29H,3,13-14H2,1-2H3/b28-18+
InChIKeyZRXXMCYCJNYURA-MTDXEUNCSA-N
MW384.50 g/mol
LogP6.59
Rot. Bonds6

About N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine

N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine (PubChem CID 123794883) has the molecular formula C26H25FN2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine
PubChem CID123794883
Molecular FormulaC26H25FN2
Molecular Weight384.50 g/mol
Exact Mass384.20
IUPAC NameN-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine
SMILESCCc1ccc2[nH]cc(CC/N=C(\C)c3cccc(-c4ccccc4F)c3)c2c1
InChIInChI=1S/C26H25FN2/c1-3-19-11-12-26-24(15-19)22(17-29-26)13-14-28-18(2)20-7-6-8-21(16-20)23-9-4-5-10-25(23)27/h4-12,15-17,29H,3,13-14H2,1-2H3/b28-18+
InChIKeyZRXXMCYCJNYURA-MTDXEUNCSA-N
XLogP6.59
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine
CID 123263622
3-[3-[N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]phenyl]benzonitrile
CID 123972225
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine
CID 145492710
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813
N-[2-[[N-ethyl-N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111972298
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
CID 175502809
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole
CID 123366328

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine?
The IUPAC name of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine (CID 123794883) is N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine.
What is the SMILES notation for N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine?
The canonical SMILES for N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine is CCc1ccc2[nH]cc(CC/N=C(\C)c3cccc(-c4ccccc4F)c3)c2c1.
What is the InChIKey of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine?
The InChIKey is ZRXXMCYCJNYURA-MTDXEUNCSA-N. The full InChI is InChI=1S/C26H25FN2/c1-3-19-11-12-26-24(15-19)22(17-29-26)13-14-28-18(2)20-7-6-8-21(16-20)23-9-4-5-10-25(23)27/h4-12,15-17,29H,3,13-14H2,1-2H3/b28-18+.
What are the key properties of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine?
N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine has a molecular weight of 384.50 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine is sourced from PubChem (CID 123794883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).