1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine

C17H17FN2 — CID 102909354

IUPAC1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
SMILESCC(NCc1ccc2[nH]ccc2c1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2/c1-12(14-3-2-4-16(18)10-14)20-11-13-5-6-17-15(9-13)7-8-19-17/h2-10,12,19-20H,11H2,1H3
InChIKeyPTRXLWCYSQIFHS-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.16
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine

1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine (PubChem CID 102909354) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
PubChem CID102909354
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
SMILESCC(NCc1ccc2[nH]ccc2c1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2/c1-12(14-3-2-4-16(18)10-14)20-11-13-5-6-17-15(9-13)7-8-19-17/h2-10,12,19-20H,11H2,1H3
InChIKeyPTRXLWCYSQIFHS-UHFFFAOYSA-N
XLogP4.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
4-[1-(1H-indol-5-ylmethylamino)ethyl]benzonitrile
CID 102909627
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762
(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81368969
N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
CID 102910676
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine (CID 102909354) is 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine is CC(NCc1ccc2[nH]ccc2c1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
The InChIKey is PTRXLWCYSQIFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12(14-3-2-4-16(18)10-14)20-11-13-5-6-17-15(9-13)7-8-19-17/h2-10,12,19-20H,11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine has a molecular weight of 268.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine is sourced from PubChem (CID 102909354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).