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

C18H19FN2O — CID 117171659

IUPAC[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
SMILESCCn1cc(COc2ccc(F)cc2)c2c(CN)cccc21
InChIInChI=1S/C18H19FN2O/c1-2-21-11-14(12-22-16-8-6-15(19)7-9-16)18-13(10-20)4-3-5-17(18)21/h3-9,11H,2,10,12,20H2,1H3
InChIKeyXBCXQLWVHKUEIS-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.84
Rot. Bonds5

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

[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine (PubChem CID 117171659) 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-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
PubChem CID117171659
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
SMILESCCn1cc(COc2ccc(F)cc2)c2c(CN)cccc21
InChIInChI=1S/C18H19FN2O/c1-2-21-11-14(12-22-16-8-6-15(19)7-9-16)18-13(10-20)4-3-5-17(18)21/h3-9,11H,2,10,12,20H2,1H3
InChIKeyXBCXQLWVHKUEIS-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

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Related Compounds

[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
[3-(ethoxymethyl)-1-ethylindol-4-yl]methanamine
CID 117171670
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
CID 117171919
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
3-(ethoxymethyl)-1-ethylindol-4-amine
CID 117171998
[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-4-yl]methanamine?
The IUPAC name of [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine (CID 117171659) is [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine?
The canonical SMILES for [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine is CCn1cc(COc2ccc(F)cc2)c2c(CN)cccc21.
What is the InChIKey of [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine?
The InChIKey is XBCXQLWVHKUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-21-11-14(12-22-16-8-6-15(19)7-9-16)18-13(10-20)4-3-5-17(18)21/h3-9,11H,2,10,12,20H2,1H3.
What are the key properties of [1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine?
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-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-4-yl]methanamine is sourced from PubChem (CID 117171659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).