3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol

C17H17FN2O — CID 131999484

IUPAC3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol
SMILESOc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C17H17FN2O/c18-14-4-5-16-13(11-20-17(16)9-14)6-7-19-10-12-2-1-3-15(21)8-12/h1-5,8-9,11,19-21H,6-7,10H2
InChIKeyCENJSKAOFDSWLX-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.34
Rot. Bonds5

About 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol

3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol (PubChem CID 131999484) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol
PubChem CID131999484
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol
SMILESOc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C17H17FN2O/c18-14-4-5-16-13(11-20-17(16)9-14)6-7-19-10-12-2-1-3-15(21)8-12/h1-5,8-9,11,19-21H,6-7,10H2
InChIKeyCENJSKAOFDSWLX-UHFFFAOYSA-N
XLogP3.34
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Serotonin
CID 5202
Oxitriptan
CID 439280
Indole-3-Carbinol
CID 3712
Bufotenine
CID 10257
(+-)-5-Hydroxytryptophan
CID 144
N-Acetylserotonin
CID 903
Psilocin
CID 4980
Idalopirdine
CID 21071390
5-Hydroxytryptophol
CID 9061
6-Hydroxyindole
CID 524508
Serotonin Hydrochloride
CID 160436
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol (CID 131999484) is 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol is Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol?
The InChIKey is CENJSKAOFDSWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-4-5-16-13(11-20-17(16)9-14)6-7-19-10-12-2-1-3-15(21)8-12/h1-5,8-9,11,19-21H,6-7,10H2.
What are the key properties of 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol?
3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol has a molecular weight of 284.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 131999484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).