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

C17H17FN2 — CID 22689337

IUPAC[1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine
SMILESCCn1c(-c2ccccc2F)c(CN)c2ccccc21
InChIInChI=1S/C17H17FN2/c1-2-20-16-10-6-4-7-12(16)14(11-19)17(20)13-8-3-5-9-15(13)18/h3-10H,2,11,19H2,1H3
InChIKeyJGGVFHGWOLPUHA-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.93
Rot. Bonds3

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

[1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine (PubChem CID 22689337) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine
PubChem CID22689337
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name[1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine
SMILESCCn1c(-c2ccccc2F)c(CN)c2ccccc21
InChIInChI=1S/C17H17FN2/c1-2-20-16-10-6-4-7-12(16)14(11-19)17(20)13-8-3-5-9-15(13)18/h3-10H,2,11,19H2,1H3
InChIKeyJGGVFHGWOLPUHA-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-(3-fluorophenyl)indol-3-yl]methanamine
CID 22689338
3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
CID 170878721
2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid
CID 19005913
1-[(2,6-difluorophenyl)methyl]-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 71592108
[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride
CID 172876719
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
CID 22689249
1-ethyl-3-fluoroindole-2-carbaldehyde
CID 89272565
CID 163999461
CID 163999461
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
CID 91058956
4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol
CID 83975448

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine?
The IUPAC name of [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine (CID 22689337) is [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine is CCn1c(-c2ccccc2F)c(CN)c2ccccc21.
What is the InChIKey of [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine?
The InChIKey is JGGVFHGWOLPUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-2-20-16-10-6-4-7-12(16)14(11-19)17(20)13-8-3-5-9-15(13)18/h3-10H,2,11,19H2,1H3.
What are the key properties of [1-ethyl-2-(2-fluorophenyl)indol-3-yl]methanamine?
[1-ethyl-2-(2-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-(2-fluorophenyl)indol-3-yl]methanamine is sourced from PubChem (CID 22689337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).