1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine

C16H15FN2 — CID 82023996

IUPAC1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
SMILESCC(N)c1c(-c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H15FN2/c1-10(18)15-13-9-12(17)7-8-14(13)19-16(15)11-5-3-2-4-6-11/h2-10,19H,18H2,1H3
InChIKeyGTUMGAVCOXPQTJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.99
Rot. Bonds2

About 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine

1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine (PubChem CID 82023996) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
PubChem CID82023996
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
SMILESCC(N)c1c(-c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H15FN2/c1-10(18)15-13-9-12(17)7-8-14(13)19-16(15)11-5-3-2-4-6-11/h2-10,19H,18H2,1H3
InChIKeyGTUMGAVCOXPQTJ-UHFFFAOYSA-N
XLogP3.99
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023991
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
3-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228674
6-fluoro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850823
3-fluoro-2-phenyl-1H-indole
CID 141242496
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176
(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide
CID 50975056
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4027468
3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-indole
CID 134467363
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
CID 25107779

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine (CID 82023996) is 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine is CC(N)c1c(-c2ccccc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine?
The InChIKey is GTUMGAVCOXPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-10(18)15-13-9-12(17)7-8-14(13)19-16(15)11-5-3-2-4-6-11/h2-10,19H,18H2,1H3.
What are the key properties of 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine?
1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine has a molecular weight of 254.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82023996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).