[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine

C18H19FN2O — CID 117182232

IUPAC[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
SMILESCCn1cc(COc2ccc(F)cc2)c2cccc(CN)c21
InChIInChI=1S/C18H19FN2O/c1-2-21-11-14(12-22-16-8-6-15(19)7-9-16)17-5-3-4-13(10-20)18(17)21/h3-9,11H,2,10,12,20H2,1H3
InChIKeyKOFVYXWOSYKQJC-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.84
Rot. Bonds5

About [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine

[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine (PubChem CID 117182232) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
PubChem CID117182232
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
SMILESCCn1cc(COc2ccc(F)cc2)c2cccc(CN)c21
InChIInChI=1S/C18H19FN2O/c1-2-21-11-14(12-22-16-8-6-15(19)7-9-16)17-5-3-4-13(10-20)18(17)21/h3-9,11H,2,10,12,20H2,1H3
InChIKeyKOFVYXWOSYKQJC-UHFFFAOYSA-N
XLogP3.84
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
CID 117171659
[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
CID 117182214
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
CID 117186319
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile
CID 126210727
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine?
The IUPAC name of [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine (CID 117182232) is [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine.
What is the SMILES notation for [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine?
The canonical SMILES for [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine is CCn1cc(COc2ccc(F)cc2)c2cccc(CN)c21.
What is the InChIKey of [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine?
The InChIKey is KOFVYXWOSYKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-21-11-14(12-22-16-8-6-15(19)7-9-16)17-5-3-4-13(10-20)18(17)21/h3-9,11H,2,10,12,20H2,1H3.
What are the key properties of [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine?
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine has a molecular weight of 298.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine is sourced from PubChem (CID 117182232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).