[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine

C18H19FN2O — CID 117180500

IUPAC[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
SMILESCCn1c(COc2ccc(F)cc2)cc2ccc(CN)cc21
InChIInChI=1S/C18H19FN2O/c1-2-21-16(12-22-17-7-5-15(19)6-8-17)10-14-4-3-13(11-20)9-18(14)21/h3-10H,2,11-12,20H2,1H3
InChIKeyYLLMROUDPMHENZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.84
Rot. Bonds5

About [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine

[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine (PubChem CID 117180500) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
PubChem CID117180500
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
SMILESCCn1c(COc2ccc(F)cc2)cc2ccc(CN)cc21
InChIInChI=1S/C18H19FN2O/c1-2-21-16(12-22-17-7-5-15(19)6-8-17)10-14-4-3-13(11-20)9-18(14)21/h3-10H,2,11-12,20H2,1H3
InChIKeyYLLMROUDPMHENZ-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-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
CID 117180685
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
1-ethyl-2-(phenoxymethyl)indole-6-carboxylic acid
CID 117180897

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine?
The IUPAC name of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine (CID 117180500) is [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine?
The canonical SMILES for [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine is CCn1c(COc2ccc(F)cc2)cc2ccc(CN)cc21.
What is the InChIKey of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine?
The InChIKey is YLLMROUDPMHENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-21-16(12-22-17-7-5-15(19)6-8-17)10-14-4-3-13(11-20)9-18(14)21/h3-10H,2,11-12,20H2,1H3.
What are the key properties of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine?
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-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-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine is sourced from PubChem (CID 117180500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).