[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine

C17H17FN2 — CID 22689338

IUPAC[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine
SMILESCCn1c(-c2cccc(F)c2)c(CN)c2ccccc21
InChIInChI=1S/C17H17FN2/c1-2-20-16-9-4-3-8-14(16)15(11-19)17(20)12-6-5-7-13(18)10-12/h3-10H,2,11,19H2,1H3
InChIKeyPXIPICRWNPPYDR-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.93
Rot. Bonds3

About [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine

[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine (PubChem CID 22689338) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine
PubChem CID22689338
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine
SMILESCCn1c(-c2cccc(F)c2)c(CN)c2ccccc21
InChIInChI=1S/C17H17FN2/c1-2-20-16-9-4-3-8-14(16)15(11-19)17(20)12-6-5-7-13(18)10-12/h3-10H,2,11,19H2,1H3
InChIKeyPXIPICRWNPPYDR-UHFFFAOYSA-N
XLogP3.93
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine
CID 22689337
1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one
CID 516403
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 112539142
1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole
CID 54192979
3-ethyl-2-(3-fluorophenyl)-6-hydroxy-1-methylindole-5-carboxylic acid
CID 123963578
4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474027
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
CID 156659698
[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol
CID 102581043
4-(3-fluorophenyl)naphthalen-1-amine
CID 171396853
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine?
The IUPAC name of [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine (CID 22689338) is [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine is CCn1c(-c2cccc(F)c2)c(CN)c2ccccc21.
What is the InChIKey of [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine?
The InChIKey is PXIPICRWNPPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-2-20-16-9-4-3-8-14(16)15(11-19)17(20)12-6-5-7-13(18)10-12/h3-10H,2,11,19H2,1H3.
What are the key properties of [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine?
[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine has a molecular weight of 268.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine is sourced from PubChem (CID 22689338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).