[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine

C18H19FN2O — CID 117177052

IUPAC[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
SMILESCCn1c(COc2ccc(F)cc2)cc2cc(CN)ccc21
InChIInChI=1S/C18H19FN2O/c1-2-21-16(12-22-17-6-4-15(19)5-7-17)10-14-9-13(11-20)3-8-18(14)21/h3-10H,2,11-12,20H2,1H3
InChIKeyBQPGVEJVBYMORQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.84
Rot. Bonds5

About [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine

[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine (PubChem CID 117177052) 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-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
PubChem CID117177052
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
SMILESCCn1c(COc2ccc(F)cc2)cc2cc(CN)ccc21
InChIInChI=1S/C18H19FN2O/c1-2-21-16(12-22-17-6-4-15(19)5-7-17)10-14-9-13(11-20)3-8-18(14)21/h3-10H,2,11-12,20H2,1H3
InChIKeyBQPGVEJVBYMORQ-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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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine (CID 117177052) is [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine is CCn1c(COc2ccc(F)cc2)cc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine?
The InChIKey is BQPGVEJVBYMORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-21-16(12-22-17-6-4-15(19)5-7-17)10-14-9-13(11-20)3-8-18(14)21/h3-10H,2,11-12,20H2,1H3.
What are the key properties of [1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine?
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-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-5-yl]methanamine is sourced from PubChem (CID 117177052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).