1-[(3-fluorophenyl)methyl]-5-propoxyindole

C18H18FNO — CID 116625580

IUPAC1-[(3-fluorophenyl)methyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO/c1-2-10-21-17-6-7-18-15(12-17)8-9-20(18)13-14-4-3-5-16(19)11-14/h3-9,11-12H,2,10,13H2,1H3
InChIKeyGIPXDEPQYNGJNY-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.62
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-5-propoxyindole

1-[(3-fluorophenyl)methyl]-5-propoxyindole (PubChem CID 116625580) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-propoxyindole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-propoxyindole
PubChem CID116625580
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-[(3-fluorophenyl)methyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO/c1-2-10-21-17-6-7-18-15(12-17)8-9-20(18)13-14-4-3-5-16(19)11-14/h3-9,11-12H,2,10,13H2,1H3
InChIKeyGIPXDEPQYNGJNY-UHFFFAOYSA-N
XLogP4.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
1-[(3-fluorophenyl)methyl]-4-propoxyindole
CID 83166118
1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
CID 102879254
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
CID 116623901
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
CID 116625540

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-propoxyindole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-propoxyindole (CID 116625580) is 1-[(3-fluorophenyl)methyl]-5-propoxyindole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-propoxyindole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-propoxyindole is CCCOc1ccc2c(ccn2Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-propoxyindole?
The InChIKey is GIPXDEPQYNGJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-2-10-21-17-6-7-18-15(12-17)8-9-20(18)13-14-4-3-5-16(19)11-14/h3-9,11-12H,2,10,13H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-propoxyindole?
1-[(3-fluorophenyl)methyl]-5-propoxyindole has a molecular weight of 283.35 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-propoxyindole is sourced from PubChem (CID 116625580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).