1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine

C18H19FN2 — CID 107235339

IUPAC1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESCC(NCc1cn(C)c2ccccc12)c1ccccc1F
InChIInChI=1S/C18H19FN2/c1-13(15-7-3-5-9-17(15)19)20-11-14-12-21(2)18-10-6-4-8-16(14)18/h3-10,12-13,20H,11H2,1-2H3
InChIKeyZZLIGVIFIMBTSW-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine

1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine (PubChem CID 107235339) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine
PubChem CID107235339
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESCC(NCc1cn(C)c2ccccc12)c1ccccc1F
InChIInChI=1S/C18H19FN2/c1-13(15-7-3-5-9-17(15)19)20-11-14-12-21(2)18-10-6-4-8-16(14)18/h3-10,12-13,20H,11H2,1-2H3
InChIKeyZZLIGVIFIMBTSW-UHFFFAOYSA-N
XLogP4.17
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209349
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine (CID 107235339) is 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine is CC(NCc1cn(C)c2ccccc12)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine?
The InChIKey is ZZLIGVIFIMBTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-13(15-7-3-5-9-17(15)19)20-11-14-12-21(2)18-10-6-4-8-16(14)18/h3-10,12-13,20H,11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine?
1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine has a molecular weight of 282.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107235339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).